REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 1v9l_1_D DATA FIRST_RESID 4 DATA SEQUENCE TGFLEYVLNY VKKGVELGGF PEDFYKILSR PRRVLIVNIP VRLDGGGFEV DATA SEQUENCE FEGYRVQHCD VLGPYKGGVR FHPEVTLADD VALAILMTLK NSLAGLPYGG DATA SEQUENCE AKGAVRVDPK KLSQRELEEL SRGYARAIAP LIGDVVDIPA PDVGTNAQIM DATA SEQUENCE AWMVDEYSKI KGYNVPGVFT SKPPELWGNP VREYATGFGV AVATREMAKK DATA SEQUENCE LWGGIEGKTV AIQGMGNVGR WTAYWLEKMG AKVIAVSDIN GVAYRKEGLN DATA SEQUENCE VELIQKNKGL TGPALVELFT TKDNAEFVKN PDAIFKLDVD IFVPAAIENV DATA SEQUENCE IRGDNAGLVK ARLVVEGANG PTTPEAERIL YERGVVVVPD ILANAGGVIM DATA SEQUENCE SYLEWVENLQ WYIWDEEETR KRLENIMVNN VERVYKRWQR EKGWTMRDAA DATA SEQUENCE IVTALERIYN AMKIRGWI VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 4 T HA 0.000 nan 4.350 nan 0.000 0.228 4 T C 0.000 174.747 174.700 0.078 0.000 1.109 4 T CA 0.000 62.136 62.100 0.061 0.000 1.349 4 T CB 0.000 68.891 68.868 0.038 0.000 0.612 5 G N 0.646 109.506 108.800 0.100 0.000 2.408 5 G HA2 0.040 3.999 3.960 -0.000 0.000 0.215 5 G HA3 0.040 3.999 3.960 -0.000 0.000 0.215 5 G C 1.136 176.145 174.900 0.182 0.000 1.156 5 G CA 0.459 45.625 45.100 0.111 0.000 0.793 5 G HN 0.391 nan 8.290 nan 0.000 0.535 6 F N 1.123 121.084 119.950 0.019 0.000 2.259 6 F HA 0.210 4.737 4.527 -0.000 0.000 0.298 6 F C 2.132 177.992 175.800 0.101 0.000 1.088 6 F CA 0.562 58.581 58.000 0.032 0.000 1.358 6 F CB -0.192 38.796 39.000 -0.021 0.000 1.040 6 F HN 0.102 nan 8.300 nan 0.000 0.505 7 L N -0.042 121.173 121.223 -0.014 0.000 2.072 7 L HA -0.130 4.210 4.340 -0.000 0.000 0.205 7 L C 2.339 179.170 176.870 -0.066 0.000 1.079 7 L CA 1.669 56.434 54.840 -0.125 0.000 0.752 7 L CB -0.584 41.449 42.059 -0.044 0.000 0.906 7 L HN 0.144 nan 8.230 nan 0.000 0.436 8 E N -1.375 118.838 120.200 0.021 0.000 2.204 8 E HA -0.285 4.065 4.350 -0.000 0.000 0.195 8 E C 1.892 178.529 176.600 0.062 0.000 0.990 8 E CA 1.256 57.683 56.400 0.045 0.000 0.821 8 E CB -0.165 29.575 29.700 0.066 0.000 0.750 8 E HN 0.639 nan 8.360 nan 0.000 0.477 9 Y N 0.086 120.352 120.300 -0.058 0.000 2.109 9 Y HA -0.198 4.352 4.550 -0.000 0.000 0.285 9 Y C 1.992 177.840 175.900 -0.087 0.000 1.131 9 Y CA 1.539 59.609 58.100 -0.050 0.000 1.121 9 Y CB -0.470 37.974 38.460 -0.026 0.000 0.987 9 Y HN -0.127 nan 8.280 nan 0.000 0.495 10 V N 0.960 120.734 119.914 -0.234 0.000 2.392 10 V HA -0.343 3.777 4.120 -0.000 0.000 0.249 10 V C 2.528 178.558 176.094 -0.107 0.000 1.059 10 V CA 2.040 64.172 62.300 -0.281 0.000 1.051 10 V CB -0.911 30.678 31.823 -0.391 0.000 0.658 10 V HN 0.477 nan 8.190 nan 0.000 0.455 11 L N 0.070 121.252 121.223 -0.069 0.000 2.079 11 L HA -0.219 4.121 4.340 -0.000 0.000 0.210 11 L C 2.197 179.114 176.870 0.078 0.000 1.081 11 L CA 2.085 56.952 54.840 0.044 0.000 0.752 11 L CB -0.697 41.407 42.059 0.076 0.000 0.896 11 L HN 0.461 nan 8.230 nan 0.000 0.433 12 N N -1.467 117.224 118.700 -0.016 0.000 2.300 12 N HA -0.173 4.567 4.740 -0.000 0.000 0.179 12 N C 1.756 177.222 175.510 -0.073 0.000 1.016 12 N CA 0.473 53.492 53.050 -0.053 0.000 0.876 12 N CB -0.159 38.287 38.487 -0.068 0.000 0.979 12 N HN 0.246 nan 8.380 nan 0.000 0.432 13 Y N 1.107 121.229 120.300 -0.296 0.000 2.165 13 Y HA -0.243 4.307 4.550 -0.000 0.000 0.286 13 Y C 1.910 177.715 175.900 -0.159 0.000 1.155 13 Y CA 1.126 59.043 58.100 -0.306 0.000 1.164 13 Y CB 0.031 38.245 38.460 -0.410 0.000 0.978 13 Y HN -0.134 nan 8.280 nan 0.000 0.513 14 V N 0.264 120.171 119.914 -0.013 0.000 2.346 14 V HA -0.239 3.881 4.120 -0.000 0.000 0.244 14 V C 2.239 178.336 176.094 0.005 0.000 1.037 14 V CA 1.986 64.277 62.300 -0.016 0.000 1.029 14 V CB -0.590 31.275 31.823 0.071 0.000 0.663 14 V HN 0.249 nan 8.190 nan 0.000 0.454 15 K N 0.183 120.595 120.400 0.019 0.000 2.160 15 K HA -0.236 4.084 4.320 -0.000 0.000 0.206 15 K C 2.213 178.741 176.600 -0.121 0.000 1.047 15 K CA 1.447 57.656 56.287 -0.130 0.000 0.930 15 K CB -0.061 32.261 32.500 -0.296 0.000 0.720 15 K HN 0.406 nan 8.250 nan 0.000 0.450 16 K N -0.808 119.512 120.400 -0.132 0.000 2.002 16 K HA -0.117 4.203 4.320 -0.000 0.000 0.209 16 K C 2.202 178.707 176.600 -0.159 0.000 1.048 16 K CA 1.498 57.690 56.287 -0.158 0.000 0.930 16 K CB -0.355 32.023 32.500 -0.204 0.000 0.714 16 K HN 0.295 nan 8.250 nan 0.000 0.438 17 G N 1.235 109.936 108.800 -0.165 0.000 2.432 17 G HA2 -0.191 3.769 3.960 -0.000 0.000 0.219 17 G HA3 -0.191 3.769 3.960 -0.000 0.000 0.219 17 G C 1.631 176.577 174.900 0.077 0.000 1.135 17 G CA 0.711 45.744 45.100 -0.111 0.000 0.767 17 G HN 0.091 nan 8.290 nan 0.000 0.550 18 V N 0.776 120.771 119.914 0.134 0.000 2.295 18 V HA -0.180 3.940 4.120 -0.000 0.000 0.246 18 V C 2.599 178.772 176.094 0.132 0.000 1.049 18 V CA 2.195 64.674 62.300 0.299 0.000 1.024 18 V CB -0.593 31.377 31.823 0.246 0.000 0.648 18 V HN 0.463 nan 8.190 nan 0.000 0.447 19 E N 0.001 120.205 120.200 0.006 0.000 2.150 19 E HA -0.120 4.230 4.350 -0.000 0.000 0.193 19 E C 2.227 178.796 176.600 -0.053 0.000 0.985 19 E CA 0.918 57.294 56.400 -0.040 0.000 0.814 19 E CB -0.141 29.522 29.700 -0.062 0.000 0.752 19 E HN 0.511 nan 8.360 nan 0.000 0.466 20 L N 0.010 121.193 121.223 -0.066 0.000 2.044 20 L HA -0.056 4.284 4.340 -0.000 0.000 0.205 20 L C 2.475 179.361 176.870 0.027 0.000 1.075 20 L CA 1.204 56.026 54.840 -0.030 0.000 0.747 20 L CB -0.403 41.492 42.059 -0.274 0.000 0.903 20 L HN 0.215 nan 8.230 nan 0.000 0.435 21 G N -1.273 107.449 108.800 -0.129 0.000 2.650 21 G HA2 0.114 4.074 3.960 -0.000 0.000 0.214 21 G HA3 0.114 4.074 3.960 -0.000 0.000 0.214 21 G C 1.168 175.560 174.900 -0.847 0.000 1.136 21 G CA 0.476 45.288 45.100 -0.479 0.000 0.789 21 G HN 0.535 nan 8.290 nan 0.000 0.536 22 G N -0.597 107.900 108.800 -0.505 0.000 2.246 22 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.273 22 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.273 22 G C 0.106 174.722 174.900 -0.474 0.000 1.055 22 G CA -0.078 44.791 45.100 -0.385 0.000 0.851 22 G HN 0.365 nan 8.290 nan 0.000 0.500 23 F N 0.874 120.717 119.950 -0.177 0.000 2.380 23 F HA 0.523 5.049 4.527 -0.000 0.000 0.325 23 F C -0.470 175.255 175.800 -0.126 0.000 1.136 23 F CA -1.941 55.855 58.000 -0.341 0.000 1.171 23 F CB 0.565 39.279 39.000 -0.476 0.000 1.230 23 F HN -0.015 nan 8.300 nan 0.000 0.554 24 P HA 0.014 nan 4.420 nan 0.000 0.272 24 P C -0.084 177.361 177.300 0.242 0.000 1.240 24 P CA -0.204 62.991 63.100 0.158 0.000 0.791 24 P CB 0.750 32.559 31.700 0.182 0.000 0.978 25 E N 0.200 120.513 120.200 0.188 0.000 2.274 25 E HA -0.176 4.174 4.350 -0.000 0.000 0.194 25 E C 0.607 177.360 176.600 0.255 0.000 0.996 25 E CA 0.851 57.377 56.400 0.210 0.000 0.840 25 E CB -0.463 29.318 29.700 0.134 0.000 0.772 25 E HN 0.224 nan 8.360 nan 0.000 0.491 26 D N 0.618 121.158 120.400 0.234 0.000 2.178 26 D HA -0.161 4.479 4.640 -0.000 0.000 0.201 26 D C 1.453 177.920 176.300 0.279 0.000 0.980 26 D CA 0.850 54.982 54.000 0.219 0.000 0.842 26 D CB -0.361 40.561 40.800 0.203 0.000 0.948 26 D HN 0.314 nan 8.370 nan 0.000 0.472 27 F N 0.116 120.176 119.950 0.183 0.000 2.102 27 F HA -0.306 4.221 4.527 -0.000 0.000 0.298 27 F C 2.385 178.268 175.800 0.138 0.000 1.105 27 F CA 1.060 59.166 58.000 0.178 0.000 1.239 27 F CB -0.186 38.911 39.000 0.162 0.000 0.991 27 F HN -0.068 nan 8.300 nan 0.000 0.474 28 Y N 1.580 121.875 120.300 -0.008 0.000 2.128 28 Y HA -0.268 4.282 4.550 -0.000 0.000 0.284 28 Y C 2.353 178.187 175.900 -0.110 0.000 1.154 28 Y CA 2.099 60.119 58.100 -0.133 0.000 1.149 28 Y CB -0.705 37.750 38.460 -0.008 0.000 0.976 28 Y HN 0.004 nan 8.280 nan 0.000 0.505 29 K N 0.206 120.556 120.400 -0.082 0.000 2.015 29 K HA -0.245 4.075 4.320 -0.000 0.000 0.216 29 K C 1.953 178.427 176.600 -0.209 0.000 1.052 29 K CA 2.822 59.023 56.287 -0.143 0.000 0.937 29 K CB -0.541 31.967 32.500 0.014 0.000 0.719 29 K HN 0.476 nan 8.250 nan 0.000 0.446 30 I N 0.501 120.992 120.570 -0.132 0.000 2.226 30 I HA -0.261 3.909 4.170 -0.000 0.000 0.245 30 I C 2.126 178.114 176.117 -0.215 0.000 1.100 30 I CA 1.248 62.477 61.300 -0.118 0.000 1.374 30 I CB -0.432 37.572 38.000 0.007 0.000 1.057 30 I HN 0.114 nan 8.210 nan 0.000 0.413 31 L N 0.449 121.466 121.223 -0.344 0.000 2.552 31 L HA -0.038 4.302 4.340 -0.000 0.000 0.227 31 L C 2.370 179.125 176.870 -0.191 0.000 1.146 31 L CA 0.387 55.038 54.840 -0.315 0.000 0.858 31 L CB -0.244 41.546 42.059 -0.449 0.000 0.969 31 L HN 0.240 nan 8.230 nan 0.000 0.451 32 S N -0.821 114.673 115.700 -0.344 0.000 2.362 32 S HA 0.067 4.537 4.470 -0.000 0.000 0.221 32 S C 0.922 175.441 174.600 -0.135 0.000 1.032 32 S CA 0.670 58.662 58.200 -0.346 0.000 0.973 32 S CB 0.092 62.964 63.200 -0.547 0.000 0.849 32 S HN 0.308 nan 8.310 nan 0.000 0.465 33 R N 1.838 122.266 120.500 -0.120 0.000 2.474 33 R HA 0.404 4.744 4.340 -0.000 0.000 0.295 33 R C -2.817 173.461 176.300 -0.036 0.000 0.980 33 R CA -2.222 53.840 56.100 -0.064 0.000 0.934 33 R CB 0.201 30.454 30.300 -0.078 0.000 1.101 33 R HN 0.213 nan 8.270 nan 0.000 0.469 34 P HA 0.148 nan 4.420 nan 0.000 0.275 34 P C 0.096 177.369 177.300 -0.046 0.000 1.228 34 P CA -0.270 62.847 63.100 0.029 0.000 0.786 34 P CB 1.140 32.870 31.700 0.050 0.000 0.927 35 R N 1.834 122.301 120.500 -0.055 0.000 2.075 35 R HA -0.028 4.312 4.340 -0.000 0.000 0.232 35 R C 0.855 177.134 176.300 -0.036 0.000 1.126 35 R CA 1.269 57.346 56.100 -0.039 0.000 0.963 35 R CB 0.172 30.495 30.300 0.038 0.000 0.858 35 R HN 0.445 nan 8.270 nan 0.000 0.435 36 R N -0.922 119.546 120.500 -0.052 0.000 2.651 36 R HA 0.406 4.746 4.340 -0.000 0.000 0.278 36 R C -1.965 174.283 176.300 -0.087 0.000 1.010 36 R CA -0.645 55.416 56.100 -0.065 0.000 0.896 36 R CB 2.603 32.869 30.300 -0.056 0.000 1.211 36 R HN -0.044 nan 8.270 nan 0.000 0.456 37 V N 4.971 124.850 119.914 -0.058 0.000 2.488 37 V HA 0.329 4.449 4.120 -0.000 0.000 0.293 37 V C -0.927 175.159 176.094 -0.013 0.000 1.027 37 V CA -0.731 61.541 62.300 -0.047 0.000 0.862 37 V CB 1.786 33.573 31.823 -0.060 0.000 1.008 37 V HN 0.566 nan 8.190 nan 0.000 0.428 38 L N 6.860 128.093 121.223 0.016 0.000 2.276 38 L HA 0.623 4.963 4.340 -0.000 0.000 0.286 38 L C -0.764 176.177 176.870 0.119 0.000 1.024 38 L CA -0.227 54.639 54.840 0.044 0.000 0.826 38 L CB 1.256 43.325 42.059 0.017 0.000 1.211 38 L HN 0.568 nan 8.230 nan 0.000 0.422 39 I N 6.267 126.906 120.570 0.116 0.000 2.321 39 I HA 0.383 4.553 4.170 -0.000 0.000 0.291 39 I C 0.091 176.295 176.117 0.145 0.000 0.998 39 I CA -0.660 60.748 61.300 0.181 0.000 1.227 39 I CB 1.712 39.796 38.000 0.140 0.000 1.368 39 I HN 0.358 nan 8.210 nan 0.000 0.466 40 V N 3.090 123.108 119.914 0.174 0.000 3.001 40 V HA 0.633 4.753 4.120 -0.000 0.000 0.314 40 V C -0.811 175.370 176.094 0.145 0.000 1.099 40 V CA -0.705 61.675 62.300 0.133 0.000 0.989 40 V CB 2.326 34.215 31.823 0.110 0.000 1.040 40 V HN 0.651 nan 8.190 nan 0.000 0.434 41 N N 3.747 122.514 118.700 0.113 0.000 2.483 41 N HA 0.514 5.254 4.740 -0.000 0.000 0.267 41 N C -0.864 174.702 175.510 0.095 0.000 0.998 41 N CA -0.320 52.791 53.050 0.101 0.000 0.918 41 N CB 1.698 40.229 38.487 0.074 0.000 1.215 41 N HN 0.827 nan 8.380 nan 0.000 0.500 42 I N 1.069 121.709 120.570 0.117 0.000 2.315 42 I HA 0.455 4.625 4.170 -0.000 0.000 0.291 42 I C -2.433 173.718 176.117 0.057 0.000 1.006 42 I CA -2.508 58.853 61.300 0.101 0.000 1.265 42 I CB 0.950 39.029 38.000 0.130 0.000 1.387 42 I HN 0.109 nan 8.210 nan 0.000 0.475 43 P HA 0.328 nan 4.420 nan 0.000 0.287 43 P C -0.591 176.532 177.300 -0.295 0.000 1.307 43 P CA -0.221 62.748 63.100 -0.218 0.000 0.777 43 P CB 1.950 33.608 31.700 -0.071 0.000 0.883 44 V N 5.046 124.733 119.914 -0.378 0.000 2.581 44 V HA 0.392 4.512 4.120 -0.000 0.000 0.303 44 V C 0.912 176.758 176.094 -0.414 0.000 1.041 44 V CA -0.792 61.371 62.300 -0.228 0.000 0.907 44 V CB 2.226 34.092 31.823 0.071 0.000 0.994 44 V HN 0.493 nan 8.190 nan 0.000 0.442 45 R N 4.596 124.973 120.500 -0.205 0.000 2.565 45 R HA 0.371 4.711 4.340 -0.000 0.000 0.286 45 R C -0.653 175.635 176.300 -0.021 0.000 1.256 45 R CA -0.489 55.574 56.100 -0.063 0.000 1.238 45 R CB -0.030 30.316 30.300 0.077 0.000 1.153 45 R HN 0.699 nan 8.270 nan 0.000 0.553 46 L N 5.156 126.366 121.223 -0.023 0.000 2.628 46 L HA -0.119 4.220 4.340 -0.000 0.000 0.274 46 L C 1.456 178.332 176.870 0.011 0.000 1.209 46 L CA -0.267 54.575 54.840 0.003 0.000 0.930 46 L CB 0.176 42.242 42.059 0.012 0.000 1.183 46 L HN 0.645 nan 8.230 nan 0.000 0.492 47 D N 2.440 122.838 120.400 -0.003 0.000 2.092 47 D HA -0.145 4.495 4.640 -0.000 0.000 0.193 47 D C 1.365 177.668 176.300 0.004 0.000 0.994 47 D CA 1.319 55.317 54.000 -0.003 0.000 0.828 47 D CB -0.359 40.431 40.800 -0.017 0.000 0.963 47 D HN 0.589 nan 8.370 nan 0.000 0.450 48 G N -0.737 108.065 108.800 0.003 0.000 3.213 48 G HA2 0.513 4.473 3.960 -0.000 0.000 0.263 48 G HA3 0.513 4.473 3.960 -0.000 0.000 0.263 48 G C 0.389 175.296 174.900 0.011 0.000 0.829 48 G CA 0.036 45.139 45.100 0.005 0.000 1.983 48 G HN 0.691 nan 8.290 nan 0.000 0.616 49 G N -0.539 108.271 108.800 0.018 0.000 2.403 49 G HA2 0.457 4.417 3.960 -0.000 0.000 0.223 49 G HA3 0.457 4.417 3.960 -0.000 0.000 0.223 49 G C 0.467 175.395 174.900 0.047 0.000 1.287 49 G CA 0.169 45.285 45.100 0.027 0.000 0.982 49 G HN 0.852 nan 8.290 nan 0.000 0.471 50 G N -1.166 107.676 108.800 0.070 0.000 2.472 50 G HA2 0.580 4.540 3.960 -0.000 0.000 0.199 50 G HA3 0.580 4.540 3.960 -0.000 0.000 0.199 50 G C -0.315 174.742 174.900 0.262 0.000 1.547 50 G CA 0.250 45.426 45.100 0.126 0.000 0.701 50 G HN 0.747 nan 8.290 nan 0.000 0.623 51 F N -0.508 119.421 119.950 -0.035 0.000 2.629 51 F HA 0.696 5.223 4.527 -0.000 0.000 0.316 51 F C -1.219 174.525 175.800 -0.094 0.000 1.081 51 F CA -0.847 57.123 58.000 -0.050 0.000 0.954 51 F CB 2.901 41.872 39.000 -0.048 0.000 1.337 51 F HN 0.183 nan 8.300 nan 0.000 0.474 52 E N 1.224 121.153 120.200 -0.452 0.000 2.431 52 E HA 0.463 4.813 4.350 -0.000 0.000 0.287 52 E C -2.082 174.135 176.600 -0.639 0.000 1.032 52 E CA -0.456 55.658 56.400 -0.478 0.000 0.839 52 E CB 2.001 31.365 29.700 -0.560 0.000 1.218 52 E HN 0.267 nan 8.360 nan 0.000 0.424 53 V N 4.961 124.563 119.914 -0.520 0.000 2.326 53 V HA 0.497 4.617 4.120 -0.000 0.000 0.281 53 V C -0.517 175.336 176.094 -0.401 0.000 1.015 53 V CA -0.547 61.544 62.300 -0.349 0.000 0.823 53 V CB 0.213 31.967 31.823 -0.115 0.000 1.009 53 V HN 0.555 nan 8.190 nan 0.000 0.436 54 F N 2.041 121.930 119.950 -0.101 0.000 2.375 54 F HA 0.413 4.940 4.527 -0.000 0.000 0.333 54 F C 0.917 176.690 175.800 -0.045 0.000 1.104 54 F CA -0.222 57.723 58.000 -0.092 0.000 1.149 54 F CB 0.879 39.789 39.000 -0.151 0.000 1.190 54 F HN 0.368 nan 8.300 nan 0.000 0.533 55 E N 1.187 121.480 120.200 0.154 0.000 2.216 55 E HA 0.568 4.918 4.350 -0.000 0.000 0.279 55 E C -0.227 176.420 176.600 0.080 0.000 0.997 55 E CA -0.340 56.133 56.400 0.122 0.000 0.817 55 E CB 1.719 31.491 29.700 0.120 0.000 1.096 55 E HN 0.869 nan 8.360 nan 0.000 0.393 56 G N 2.298 111.166 108.800 0.113 0.000 2.695 56 G HA2 0.609 4.569 3.960 -0.000 0.000 0.290 56 G HA3 0.609 4.569 3.960 -0.000 0.000 0.290 56 G C -1.781 173.236 174.900 0.196 0.000 1.410 56 G CA -0.616 44.500 45.100 0.027 0.000 0.844 56 G HN 0.485 nan 8.290 nan 0.000 0.478 57 Y N -2.004 118.484 120.300 0.313 0.000 2.713 57 Y HA 0.869 5.419 4.550 -0.000 0.000 0.335 57 Y C -0.990 175.066 175.900 0.259 0.000 1.222 57 Y CA -1.831 56.404 58.100 0.225 0.000 1.061 57 Y CB 1.635 40.167 38.460 0.120 0.000 1.314 57 Y HN 0.704 nan 8.280 nan 0.000 0.453 58 R N 1.179 121.919 120.500 0.401 0.000 2.539 58 R HA 0.680 5.020 4.340 -0.000 0.000 0.295 58 R C -2.408 173.957 176.300 0.109 0.000 1.138 58 R CA -0.618 55.626 56.100 0.240 0.000 0.936 58 R CB 1.345 31.696 30.300 0.085 0.000 1.182 58 R HN 0.740 nan 8.270 nan 0.000 0.459 59 V N 5.276 125.251 119.914 0.102 0.000 2.498 59 V HA 0.349 4.468 4.120 -0.000 0.000 0.279 59 V C -0.005 176.003 176.094 -0.144 0.000 1.048 59 V CA -0.192 62.098 62.300 -0.017 0.000 0.967 59 V CB 1.478 33.306 31.823 0.007 0.000 0.988 59 V HN 0.670 nan 8.190 nan 0.000 0.473 60 Q N 2.889 122.529 119.800 -0.266 0.000 2.401 60 Q HA 0.299 4.638 4.340 -0.000 0.000 0.260 60 Q C 0.060 175.894 176.000 -0.276 0.000 1.034 60 Q CA -0.515 54.897 55.803 -0.651 0.000 0.737 60 Q CB 1.819 29.845 28.738 -1.186 0.000 1.227 60 Q HN 0.841 nan 8.270 nan 0.000 0.488 61 H N 1.336 120.339 119.070 -0.112 0.000 2.265 61 H HA 0.106 4.662 4.556 -0.000 0.000 0.305 61 H C -0.334 175.124 175.328 0.217 0.000 1.054 61 H CA 1.049 57.128 56.048 0.052 0.000 1.296 61 H CB 0.486 30.269 29.762 0.036 0.000 1.395 61 H HN 0.565 nan 8.280 nan 0.000 0.502 62 C N 0.490 119.930 119.300 0.233 0.000 2.482 62 C HA 0.266 4.726 4.460 -0.000 0.000 0.317 62 C C 0.082 175.157 174.990 0.143 0.000 1.197 62 C CA -0.678 58.421 59.018 0.134 0.000 1.432 62 C CB 1.103 28.834 27.740 -0.014 0.000 2.062 62 C HN 0.701 nan 8.230 nan 0.000 0.471 63 D N 1.568 122.009 120.400 0.068 0.000 2.398 63 D HA 0.033 4.673 4.640 -0.000 0.000 0.210 63 D C 1.906 178.134 176.300 -0.120 0.000 1.094 63 D CA 0.553 54.445 54.000 -0.181 0.000 0.839 63 D CB 0.631 41.282 40.800 -0.249 0.000 0.963 63 D HN 0.515 nan 8.370 nan 0.000 0.506 64 V N -0.079 119.709 119.914 -0.211 0.000 2.278 64 V HA -0.270 3.850 4.120 -0.000 0.000 0.251 64 V C 2.375 178.316 176.094 -0.256 0.000 1.062 64 V CA 1.348 63.376 62.300 -0.453 0.000 1.038 64 V CB -1.046 30.385 31.823 -0.653 0.000 0.646 64 V HN 0.180 nan 8.190 nan 0.000 0.447 65 L N 0.342 121.471 121.223 -0.157 0.000 2.291 65 L HA 0.414 4.754 4.340 -0.000 0.000 0.214 65 L C 1.235 178.070 176.870 -0.059 0.000 1.120 65 L CA 0.997 55.779 54.840 -0.097 0.000 0.799 65 L CB -0.653 41.374 42.059 -0.052 0.000 0.925 65 L HN 0.702 nan 8.230 nan 0.000 0.446 66 G N -1.204 107.561 108.800 -0.059 0.000 2.351 66 G HA2 0.069 4.029 3.960 -0.000 0.000 0.279 66 G HA3 0.069 4.029 3.960 -0.000 0.000 0.279 66 G C -3.018 171.838 174.900 -0.073 0.000 1.297 66 G CA -0.796 44.295 45.100 -0.015 0.000 0.886 66 G HN -0.267 nan 8.290 nan 0.000 0.493 67 P HA 0.295 nan 4.420 nan 0.000 0.271 67 P C -0.781 176.421 177.300 -0.164 0.000 1.218 67 P CA 0.054 63.074 63.100 -0.134 0.000 0.780 67 P CB 0.259 31.944 31.700 -0.024 0.000 0.901 68 Y N 1.254 121.494 120.300 -0.100 0.000 2.597 68 Y HA 0.222 4.772 4.550 -0.000 0.000 0.336 68 Y C 1.338 177.027 175.900 -0.351 0.000 1.216 68 Y CA 0.879 58.884 58.100 -0.158 0.000 1.463 68 Y CB 0.188 38.584 38.460 -0.105 0.000 1.303 68 Y HN 0.320 nan 8.280 nan 0.000 0.576 69 K N 1.237 121.519 120.400 -0.197 0.000 2.619 69 K HA 0.674 4.994 4.320 -0.000 0.000 0.251 69 K C -0.854 175.597 176.600 -0.247 0.000 0.987 69 K CA -0.185 55.833 56.287 -0.447 0.000 0.844 69 K CB 1.286 33.163 32.500 -1.039 0.000 1.237 69 K HN 0.858 nan 8.250 nan 0.000 0.447 70 G N 0.872 109.555 108.800 -0.195 0.000 2.623 70 G HA2 0.589 4.549 3.960 -0.000 0.000 0.290 70 G HA3 0.589 4.549 3.960 -0.000 0.000 0.290 70 G C -0.934 173.910 174.900 -0.093 0.000 1.437 70 G CA -0.456 44.579 45.100 -0.109 0.000 0.798 70 G HN 0.637 nan 8.290 nan 0.000 0.488 71 G N -1.706 107.061 108.800 -0.054 0.000 2.502 71 G HA2 0.633 4.593 3.960 -0.000 0.000 0.305 71 G HA3 0.633 4.593 3.960 -0.000 0.000 0.305 71 G C -0.709 174.176 174.900 -0.025 0.000 1.190 71 G CA -0.291 44.782 45.100 -0.045 0.000 0.933 71 G HN 1.463 nan 8.290 nan 0.000 0.503 72 V N 0.497 120.380 119.914 -0.052 0.000 2.448 72 V HA 0.652 4.772 4.120 -0.000 0.000 0.295 72 V C -0.319 175.666 176.094 -0.181 0.000 1.025 72 V CA -1.061 61.186 62.300 -0.087 0.000 0.859 72 V CB 1.084 32.861 31.823 -0.078 0.000 0.988 72 V HN 0.738 nan 8.190 nan 0.000 0.431 73 R N 6.470 126.906 120.500 -0.107 0.000 2.265 73 R HA 0.466 4.806 4.340 -0.000 0.000 0.319 73 R C -0.803 175.566 176.300 0.116 0.000 1.006 73 R CA -0.206 55.871 56.100 -0.038 0.000 0.880 73 R CB 1.394 31.700 30.300 0.009 0.000 1.077 73 R HN 0.732 nan 8.270 nan 0.000 0.454 74 F N 4.250 124.144 119.950 -0.094 0.000 2.309 74 F HA 0.236 4.762 4.527 -0.000 0.000 0.366 74 F C 0.385 176.171 175.800 -0.022 0.000 1.104 74 F CA -0.565 57.365 58.000 -0.117 0.000 1.179 74 F CB 0.633 39.548 39.000 -0.141 0.000 1.437 74 F HN 0.432 nan 8.300 nan 0.000 0.528 75 H N 5.532 124.635 119.070 0.056 0.000 2.974 75 H HA 0.214 4.770 4.556 -0.000 0.000 0.366 75 H C -2.350 172.976 175.328 -0.003 0.000 1.155 75 H CA -1.797 54.262 56.048 0.018 0.000 1.186 75 H CB 3.160 32.932 29.762 0.017 0.000 1.799 75 H HN 0.129 nan 8.280 nan 0.000 0.541 76 P HA -0.018 nan 4.420 nan 0.000 0.229 76 P C 0.152 177.593 177.300 0.234 0.000 1.160 76 P CA 0.881 64.050 63.100 0.114 0.000 0.777 76 P CB 0.566 32.255 31.700 -0.019 0.000 0.814 77 E N -0.181 120.312 120.200 0.489 0.000 2.499 77 E HA 0.186 4.536 4.350 -0.000 0.000 0.207 77 E C -0.379 176.263 176.600 0.069 0.000 1.034 77 E CA -0.343 56.180 56.400 0.205 0.000 1.098 77 E CB 0.554 30.358 29.700 0.174 0.000 1.148 77 E HN 0.033 nan 8.360 nan 0.000 0.447 78 V N 0.932 120.915 119.914 0.115 0.000 2.465 78 V HA 0.201 4.321 4.120 -0.000 0.000 0.279 78 V C 0.375 176.567 176.094 0.164 0.000 1.045 78 V CA -0.173 62.182 62.300 0.092 0.000 0.938 78 V CB 1.547 33.428 31.823 0.096 0.000 0.986 78 V HN 0.071 nan 8.190 nan 0.000 0.467 79 T N 4.018 118.671 114.554 0.165 0.000 2.887 79 T HA 0.425 4.775 4.350 -0.000 0.000 0.288 79 T C 0.880 175.664 174.700 0.141 0.000 1.021 79 T CA -0.549 61.646 62.100 0.158 0.000 1.000 79 T CB 1.400 70.317 68.868 0.082 0.000 1.034 79 T HN 0.557 nan 8.240 nan 0.000 0.467 80 L N 3.333 124.539 121.223 -0.028 0.000 1.997 80 L HA -0.133 4.206 4.340 -0.000 0.000 0.216 80 L C 2.772 179.559 176.870 -0.139 0.000 1.074 80 L CA 2.343 56.985 54.840 -0.330 0.000 0.763 80 L CB -0.727 41.096 42.059 -0.394 0.000 0.890 80 L HN 0.923 nan 8.230 nan 0.000 0.434 81 A N -0.343 122.442 122.820 -0.058 0.000 1.892 81 A HA -0.303 4.017 4.320 -0.000 0.000 0.218 81 A C 1.852 179.458 177.584 0.037 0.000 1.188 81 A CA 2.263 54.290 52.037 -0.016 0.000 0.631 81 A CB -0.761 18.244 19.000 0.008 0.000 0.822 81 A HN 0.515 nan 8.150 nan 0.000 0.447 82 D N 0.053 120.514 120.400 0.102 0.000 2.123 82 D HA -0.124 4.516 4.640 -0.000 0.000 0.196 82 D C 1.383 177.797 176.300 0.190 0.000 0.992 82 D CA 1.384 55.514 54.000 0.216 0.000 0.833 82 D CB -0.414 40.493 40.800 0.179 0.000 0.954 82 D HN 0.451 nan 8.370 nan 0.000 0.455 83 D N 0.076 120.557 120.400 0.136 0.000 2.183 83 D HA -0.066 4.573 4.640 -0.000 0.000 0.203 83 D C 2.234 178.566 176.300 0.053 0.000 0.969 83 D CA 0.245 54.327 54.000 0.137 0.000 0.842 83 D CB 0.220 41.179 40.800 0.265 0.000 0.957 83 D HN 0.057 nan 8.370 nan 0.000 0.484 84 V N 1.544 121.455 119.914 -0.006 0.000 2.358 84 V HA -0.219 3.901 4.120 -0.000 0.000 0.246 84 V C 2.539 178.576 176.094 -0.096 0.000 1.047 84 V CA 1.753 64.023 62.300 -0.051 0.000 1.035 84 V CB -0.530 31.254 31.823 -0.065 0.000 0.658 84 V HN 0.158 nan 8.190 nan 0.000 0.452 85 A N -0.530 122.235 122.820 -0.091 0.000 1.930 85 A HA -0.109 4.211 4.320 -0.000 0.000 0.217 85 A C 2.169 179.661 177.584 -0.154 0.000 1.175 85 A CA 1.486 53.398 52.037 -0.208 0.000 0.627 85 A CB -0.446 18.325 19.000 -0.381 0.000 0.815 85 A HN 0.502 nan 8.150 nan 0.000 0.443 86 L N -0.961 120.271 121.223 0.015 0.000 2.141 86 L HA -0.148 4.192 4.340 -0.000 0.000 0.209 86 L C 3.033 179.891 176.870 -0.021 0.000 1.094 86 L CA 0.803 55.685 54.840 0.070 0.000 0.763 86 L CB -0.503 41.634 42.059 0.130 0.000 0.908 86 L HN 0.465 nan 8.230 nan 0.000 0.437 87 A N 0.691 123.470 122.820 -0.068 0.000 1.855 87 A HA -0.162 4.158 4.320 -0.000 0.000 0.215 87 A C 2.179 179.593 177.584 -0.283 0.000 1.191 87 A CA 1.276 53.250 52.037 -0.105 0.000 0.613 87 A CB -0.596 18.363 19.000 -0.068 0.000 0.829 87 A HN 0.273 nan 8.150 nan 0.000 0.442 88 I N -0.308 119.948 120.570 -0.522 0.000 2.113 88 I HA -0.333 3.837 4.170 -0.000 0.000 0.242 88 I C 2.477 178.414 176.117 -0.300 0.000 1.064 88 I CA 1.583 62.427 61.300 -0.761 0.000 1.320 88 I CB -0.469 37.230 38.000 -0.502 0.000 1.028 88 I HN 0.295 nan 8.210 nan 0.000 0.406 89 L N -0.706 120.422 121.223 -0.158 0.000 2.079 89 L HA -0.253 4.087 4.340 -0.000 0.000 0.210 89 L C 2.596 179.464 176.870 -0.003 0.000 1.081 89 L CA 1.228 56.048 54.840 -0.034 0.000 0.752 89 L CB -0.321 41.736 42.059 -0.003 0.000 0.896 89 L HN 0.308 nan 8.230 nan 0.000 0.433 90 M N -0.948 118.637 119.600 -0.024 0.000 2.229 90 M HA -0.157 4.323 4.480 -0.000 0.000 0.264 90 M C 2.123 178.441 176.300 0.030 0.000 1.063 90 M CA 1.812 57.114 55.300 0.004 0.000 1.114 90 M CB -0.311 32.285 32.600 -0.007 0.000 1.387 90 M HN 0.052 nan 8.290 nan 0.000 0.420 91 T N 0.367 114.945 114.554 0.039 0.000 2.812 91 T HA -0.036 4.314 4.350 -0.000 0.000 0.264 91 T C 1.704 176.457 174.700 0.088 0.000 1.042 91 T CA 1.438 63.609 62.100 0.118 0.000 1.140 91 T CB -0.279 68.766 68.868 0.295 0.000 0.870 91 T HN 0.358 nan 8.240 nan 0.000 0.445 92 L N 0.733 121.995 121.223 0.065 0.000 2.056 92 L HA -0.044 4.296 4.340 -0.000 0.000 0.207 92 L C 2.652 179.558 176.870 0.061 0.000 1.078 92 L CA 1.333 56.212 54.840 0.065 0.000 0.749 92 L CB -0.494 41.604 42.059 0.065 0.000 0.901 92 L HN 0.180 nan 8.230 nan 0.000 0.433 93 K N 0.673 121.109 120.400 0.060 0.000 2.057 93 K HA -0.175 4.145 4.320 -0.000 0.000 0.207 93 K C 1.781 178.412 176.600 0.053 0.000 1.049 93 K CA 1.715 58.038 56.287 0.058 0.000 0.931 93 K CB -0.065 32.468 32.500 0.056 0.000 0.714 93 K HN 0.393 nan 8.250 nan 0.000 0.440 94 N N -0.209 118.526 118.700 0.058 0.000 2.188 94 N HA -0.143 4.597 4.740 -0.000 0.000 0.184 94 N C 1.805 177.339 175.510 0.041 0.000 1.018 94 N CA 0.972 54.063 53.050 0.069 0.000 0.858 94 N CB -0.012 38.536 38.487 0.101 0.000 0.989 94 N HN 0.159 nan 8.380 nan 0.000 0.426 95 S N 1.354 117.079 115.700 0.042 0.000 2.356 95 S HA -0.055 4.415 4.470 -0.000 0.000 0.223 95 S C 1.898 176.509 174.600 0.018 0.000 1.032 95 S CA 0.653 58.868 58.200 0.025 0.000 1.005 95 S CB -0.295 62.929 63.200 0.040 0.000 0.867 95 S HN 0.292 nan 8.310 nan 0.000 0.449 96 L N 0.979 122.221 121.223 0.032 0.000 2.083 96 L HA 0.000 4.340 4.340 -0.000 0.000 0.209 96 L C 2.620 179.502 176.870 0.020 0.000 1.083 96 L CA 1.318 56.177 54.840 0.033 0.000 0.752 96 L CB -0.617 41.468 42.059 0.043 0.000 0.899 96 L HN 0.499 nan 8.230 nan 0.000 0.433 97 A N -0.457 122.372 122.820 0.014 0.000 2.172 97 A HA 0.052 4.372 4.320 -0.000 0.000 0.216 97 A C 1.552 179.111 177.584 -0.042 0.000 1.154 97 A CA 0.882 52.919 52.037 -0.001 0.000 0.701 97 A CB -0.812 18.195 19.000 0.011 0.000 0.789 97 A HN 0.661 nan 8.150 nan 0.000 0.465 98 G N -1.161 107.608 108.800 -0.053 0.000 2.225 98 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.264 98 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.264 98 G C -0.117 174.667 174.900 -0.194 0.000 1.060 98 G CA 0.465 45.513 45.100 -0.087 0.000 0.833 98 G HN 0.512 nan 8.290 nan 0.000 0.498 99 L N -0.425 120.657 121.223 -0.234 0.000 2.313 99 L HA 0.637 4.976 4.340 -0.000 0.000 0.268 99 L C -1.741 174.941 176.870 -0.313 0.000 1.010 99 L CA -2.533 52.020 54.840 -0.478 0.000 0.814 99 L CB 2.085 43.864 42.059 -0.466 0.000 1.304 99 L HN -0.064 nan 8.230 nan 0.000 0.441 100 P HA 0.227 nan 4.420 nan 0.000 0.206 100 P C -1.336 175.923 177.300 -0.069 0.000 1.854 100 P CA -0.005 63.007 63.100 -0.147 0.000 0.969 100 P CB -0.312 31.363 31.700 -0.042 0.000 1.843 101 Y N -1.082 119.159 120.300 -0.098 0.000 2.446 101 Y HA 0.468 5.018 4.550 -0.000 0.000 0.345 101 Y C 1.719 177.568 175.900 -0.085 0.000 0.984 101 Y CA -1.163 56.865 58.100 -0.121 0.000 1.058 101 Y CB 2.329 40.711 38.460 -0.131 0.000 1.220 101 Y HN 0.010 nan 8.280 nan 0.000 0.455 102 G N 1.097 109.934 108.800 0.062 0.000 2.838 102 G HA2 0.333 4.293 3.960 -0.000 0.000 0.210 102 G HA3 0.333 4.293 3.960 -0.000 0.000 0.210 102 G C 0.539 175.532 174.900 0.155 0.000 1.153 102 G CA 0.204 45.334 45.100 0.050 0.000 0.778 102 G HN 1.056 nan 8.290 nan 0.000 0.539 103 G N -0.616 108.234 108.800 0.083 0.000 3.276 103 G HA2 0.395 4.355 3.960 -0.000 0.000 0.679 103 G HA3 0.395 4.355 3.960 -0.000 0.000 0.679 103 G C -0.021 174.969 174.900 0.149 0.000 0.911 103 G CA -0.124 45.022 45.100 0.077 0.000 0.797 103 G HN 1.373 nan 8.290 nan 0.000 0.503 104 A N 1.777 124.622 122.820 0.041 0.000 2.701 104 A HA 1.068 5.388 4.320 -0.000 0.000 0.290 104 A C -0.118 177.455 177.584 -0.018 0.000 1.267 104 A CA 0.304 52.337 52.037 -0.006 0.000 0.709 104 A CB 1.894 20.836 19.000 -0.097 0.000 1.352 104 A HN 1.815 nan 8.150 nan 0.000 0.519 105 K N -2.297 118.097 120.400 -0.010 0.000 2.610 105 K HA 0.586 4.905 4.320 -0.000 0.000 0.278 105 K C -0.697 175.966 176.600 0.106 0.000 0.964 105 K CA 0.526 56.836 56.287 0.038 0.000 0.859 105 K CB 1.788 34.322 32.500 0.057 0.000 1.434 105 K HN 1.683 nan 8.250 nan 0.000 0.410 106 G N 0.307 109.180 108.800 0.122 0.000 2.695 106 G HA2 0.884 4.844 3.960 -0.000 0.000 0.290 106 G HA3 0.884 4.844 3.960 -0.000 0.000 0.290 106 G C -1.690 173.222 174.900 0.020 0.000 1.410 106 G CA -0.259 44.945 45.100 0.174 0.000 0.844 106 G HN 0.839 nan 8.290 nan 0.000 0.478 107 A N -0.956 121.732 122.820 -0.219 0.000 2.594 107 A HA 0.691 5.011 4.320 -0.000 0.000 0.296 107 A C -1.792 175.464 177.584 -0.548 0.000 1.056 107 A CA -0.430 51.392 52.037 -0.359 0.000 0.693 107 A CB 1.568 20.393 19.000 -0.293 0.000 1.278 107 A HN 1.603 nan 8.150 nan 0.000 0.408 108 V N 2.008 121.750 119.914 -0.286 0.000 2.447 108 V HA 0.439 4.559 4.120 -0.000 0.000 0.292 108 V C 0.374 176.343 176.094 -0.208 0.000 1.021 108 V CA -0.507 61.603 62.300 -0.317 0.000 0.850 108 V CB 1.529 33.067 31.823 -0.475 0.000 1.005 108 V HN 0.901 nan 8.190 nan 0.000 0.426 109 R N 3.604 124.038 120.500 -0.111 0.000 2.413 109 R HA 0.497 4.836 4.340 -0.000 0.000 0.333 109 R C -0.860 175.440 176.300 -0.000 0.000 1.074 109 R CA 0.392 56.490 56.100 -0.003 0.000 0.982 109 R CB 0.319 30.659 30.300 0.066 0.000 0.981 109 R HN 0.553 nan 8.270 nan 0.000 0.452 110 V N 2.930 122.805 119.914 -0.066 0.000 3.265 110 V HA 0.111 4.231 4.120 -0.000 0.000 0.275 110 V C -1.954 174.052 176.094 -0.147 0.000 1.684 110 V CA -0.987 61.242 62.300 -0.118 0.000 1.032 110 V CB 2.352 33.916 31.823 -0.432 0.000 1.250 110 V HN 0.767 nan 8.190 nan 0.000 0.468 111 D N 4.796 125.118 120.400 -0.130 0.000 2.473 111 D HA 0.428 5.068 4.640 -0.000 0.000 0.226 111 D C -1.555 174.670 176.300 -0.126 0.000 1.089 111 D CA -1.735 52.184 54.000 -0.135 0.000 0.883 111 D CB 2.130 42.869 40.800 -0.101 0.000 1.029 111 D HN 0.442 nan 8.370 nan 0.000 0.517 112 P HA -0.168 nan 4.420 nan 0.000 0.218 112 P C 0.418 177.695 177.300 -0.039 0.000 1.146 112 P CA 0.834 63.894 63.100 -0.066 0.000 0.813 112 P CB 0.293 32.032 31.700 0.065 0.000 0.778 113 K N -0.125 120.251 120.400 -0.040 0.000 2.665 113 K HA 0.056 4.376 4.320 -0.000 0.000 0.214 113 K C 1.202 177.783 176.600 -0.030 0.000 1.032 113 K CA 0.230 56.501 56.287 -0.027 0.000 1.198 113 K CB 0.049 32.531 32.500 -0.030 0.000 0.941 113 K HN 0.005 nan 8.250 nan 0.000 0.491 114 K N 0.266 120.644 120.400 -0.037 0.000 2.585 114 K HA 0.250 4.570 4.320 -0.000 0.000 0.210 114 K C -0.737 175.850 176.600 -0.023 0.000 1.294 114 K CA 0.020 56.292 56.287 -0.026 0.000 1.025 114 K CB 0.842 33.328 32.500 -0.025 0.000 1.076 114 K HN -0.017 nan 8.250 nan 0.000 0.613 115 L N 1.659 122.858 121.223 -0.040 0.000 2.346 115 L HA 0.496 4.836 4.340 -0.000 0.000 0.274 115 L C 0.173 177.025 176.870 -0.030 0.000 1.007 115 L CA -1.145 53.667 54.840 -0.046 0.000 0.818 115 L CB 1.847 43.839 42.059 -0.112 0.000 1.284 115 L HN 0.076 nan 8.230 nan 0.000 0.424 116 S N 1.097 116.781 115.700 -0.027 0.000 2.600 116 S HA 0.096 4.566 4.470 -0.000 0.000 0.265 116 S C 0.832 175.418 174.600 -0.023 0.000 1.325 116 S CA -0.545 57.643 58.200 -0.019 0.000 1.002 116 S CB 1.241 64.428 63.200 -0.022 0.000 0.921 116 S HN 0.628 nan 8.310 nan 0.000 0.554 117 Q N 1.068 120.867 119.800 -0.001 0.000 2.077 117 Q HA -0.195 4.145 4.340 -0.000 0.000 0.206 117 Q C 2.274 178.210 176.000 -0.107 0.000 0.989 117 Q CA 1.848 57.659 55.803 0.014 0.000 0.853 117 Q CB -0.512 28.257 28.738 0.052 0.000 0.907 117 Q HN 0.835 nan 8.270 nan 0.000 0.418 118 R N 0.768 121.200 120.500 -0.113 0.000 2.120 118 R HA -0.147 4.193 4.340 -0.000 0.000 0.234 118 R C 1.841 178.028 176.300 -0.188 0.000 1.123 118 R CA 1.339 57.336 56.100 -0.173 0.000 0.975 118 R CB 0.119 30.353 30.300 -0.110 0.000 0.866 118 R HN 0.376 nan 8.270 nan 0.000 0.446 119 E N 0.350 120.472 120.200 -0.131 0.000 2.046 119 E HA -0.175 4.175 4.350 -0.000 0.000 0.190 119 E C 2.145 178.641 176.600 -0.173 0.000 0.982 119 E CA 0.916 57.241 56.400 -0.125 0.000 0.800 119 E CB -0.116 29.536 29.700 -0.080 0.000 0.756 119 E HN 0.297 nan 8.360 nan 0.000 0.449 120 L N 1.204 122.339 121.223 -0.146 0.000 2.042 120 L HA -0.253 4.087 4.340 -0.000 0.000 0.210 120 L C 2.703 179.503 176.870 -0.116 0.000 1.076 120 L CA 1.453 56.242 54.840 -0.086 0.000 0.749 120 L CB -0.195 41.923 42.059 0.097 0.000 0.893 120 L HN 0.215 nan 8.230 nan 0.000 0.432 121 E N -0.214 119.710 120.200 -0.461 0.000 2.047 121 E HA -0.302 4.048 4.350 -0.000 0.000 0.191 121 E C 2.006 178.383 176.600 -0.371 0.000 0.987 121 E CA 1.387 57.281 56.400 -0.843 0.000 0.799 121 E CB 0.048 28.821 29.700 -1.544 0.000 0.752 121 E HN 0.305 nan 8.360 nan 0.000 0.449 122 E N 0.495 120.519 120.200 -0.294 0.000 2.058 122 E HA -0.205 4.145 4.350 -0.000 0.000 0.194 122 E C 2.006 178.543 176.600 -0.105 0.000 0.997 122 E CA 1.138 57.436 56.400 -0.171 0.000 0.801 122 E CB -0.419 29.198 29.700 -0.138 0.000 0.746 122 E HN 0.319 nan 8.360 nan 0.000 0.450 123 L N 0.117 121.257 121.223 -0.139 0.000 1.994 123 L HA -0.161 4.179 4.340 -0.000 0.000 0.208 123 L C 2.211 179.075 176.870 -0.010 0.000 1.071 123 L CA 2.176 56.920 54.840 -0.161 0.000 0.745 123 L CB -0.966 40.834 42.059 -0.432 0.000 0.892 123 L HN 0.056 nan 8.230 nan 0.000 0.431 124 S N -0.258 115.497 115.700 0.092 0.000 2.359 124 S HA -0.245 4.225 4.470 -0.000 0.000 0.223 124 S C 2.008 176.740 174.600 0.221 0.000 1.039 124 S CA 1.766 60.143 58.200 0.294 0.000 1.042 124 S CB -0.457 62.987 63.200 0.407 0.000 0.915 124 S HN 0.446 nan 8.310 nan 0.000 0.439 125 R N 0.518 121.086 120.500 0.114 0.000 2.127 125 R HA -0.060 4.279 4.340 -0.000 0.000 0.238 125 R C 2.591 178.952 176.300 0.101 0.000 1.134 125 R CA 1.186 57.337 56.100 0.086 0.000 0.975 125 R CB -0.662 29.642 30.300 0.007 0.000 0.865 125 R HN 0.501 nan 8.270 nan 0.000 0.447 126 G N -0.551 108.306 108.800 0.094 0.000 2.448 126 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.218 126 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.218 126 G C 1.142 176.144 174.900 0.169 0.000 1.135 126 G CA 0.251 45.412 45.100 0.102 0.000 0.784 126 G HN 0.320 nan 8.290 nan 0.000 0.543 127 Y N 1.897 122.250 120.300 0.087 0.000 2.220 127 Y HA 0.161 4.710 4.550 -0.000 0.000 0.291 127 Y C 2.834 178.827 175.900 0.155 0.000 1.129 127 Y CA 1.071 59.244 58.100 0.121 0.000 1.161 127 Y CB -0.339 38.226 38.460 0.175 0.000 0.997 127 Y HN 0.216 nan 8.280 nan 0.000 0.522 128 A N 0.359 123.302 122.820 0.204 0.000 1.933 128 A HA -0.187 4.133 4.320 -0.000 0.000 0.218 128 A C 2.339 180.004 177.584 0.135 0.000 1.175 128 A CA 1.775 53.917 52.037 0.174 0.000 0.628 128 A CB -0.720 18.402 19.000 0.204 0.000 0.814 128 A HN 0.518 nan 8.150 nan 0.000 0.444 129 R N -0.602 119.963 120.500 0.107 0.000 2.075 129 R HA -0.023 4.317 4.340 -0.000 0.000 0.232 129 R C 2.342 178.671 176.300 0.048 0.000 1.126 129 R CA 1.300 57.449 56.100 0.082 0.000 0.963 129 R CB -0.357 29.982 30.300 0.064 0.000 0.858 129 R HN 0.456 nan 8.270 nan 0.000 0.435 130 A N 1.422 124.255 122.820 0.022 0.000 1.858 130 A HA -0.127 4.192 4.320 -0.000 0.000 0.216 130 A C 2.063 179.628 177.584 -0.032 0.000 1.190 130 A CA 1.623 53.662 52.037 0.003 0.000 0.617 130 A CB -0.656 18.355 19.000 0.019 0.000 0.827 130 A HN 0.557 nan 8.150 nan 0.000 0.443 131 I N -3.267 117.229 120.570 -0.124 0.000 3.564 131 I HA 0.274 4.443 4.170 -0.000 0.000 0.294 131 I C 2.025 178.127 176.117 -0.024 0.000 1.289 131 I CA 0.729 61.952 61.300 -0.128 0.000 1.325 131 I CB -0.408 37.404 38.000 -0.313 0.000 1.039 131 I HN 0.184 nan 8.210 nan 0.000 0.474 132 A N 3.564 126.415 122.820 0.052 0.000 1.884 132 A HA -0.146 4.174 4.320 -0.000 0.000 0.219 132 A C 0.486 178.164 177.584 0.156 0.000 1.197 132 A CA 2.200 54.347 52.037 0.183 0.000 0.637 132 A CB -2.294 16.820 19.000 0.190 0.000 0.827 132 A HN 0.511 nan 8.150 nan 0.000 0.450 133 P HA -0.101 nan 4.420 nan 0.000 0.227 133 P C 0.474 177.817 177.300 0.071 0.000 1.145 133 P CA 0.980 64.123 63.100 0.073 0.000 0.769 133 P CB -0.011 31.716 31.700 0.045 0.000 0.769 134 L N -0.782 120.475 121.223 0.056 0.000 3.122 134 L HA 0.367 4.707 4.340 -0.000 0.000 0.274 134 L C 0.849 177.740 176.870 0.035 0.000 1.222 134 L CA -0.409 54.457 54.840 0.042 0.000 1.028 134 L CB -0.087 41.977 42.059 0.008 0.000 1.386 134 L HN -0.033 nan 8.230 nan 0.000 0.578 135 I N -3.940 116.655 120.570 0.042 0.000 3.264 135 I HA 1.024 5.193 4.170 -0.000 0.000 0.315 135 I C -0.065 176.044 176.117 -0.014 0.000 1.154 135 I CA -0.892 60.386 61.300 -0.036 0.000 0.962 135 I CB 2.251 40.145 38.000 -0.176 0.000 1.265 135 I HN -0.055 nan 8.210 nan 0.000 0.463 136 G N 1.545 110.272 108.800 -0.122 0.000 2.358 136 G HA2 0.179 4.139 3.960 -0.000 0.000 0.301 136 G HA3 0.179 4.139 3.960 -0.000 0.000 0.301 136 G C -0.557 174.326 174.900 -0.027 0.000 1.539 136 G CA 0.034 45.105 45.100 -0.050 0.000 0.893 136 G HN 0.949 nan 8.290 nan 0.000 0.636 137 D N -1.064 119.367 120.400 0.051 0.000 2.357 137 D HA -0.159 4.481 4.640 -0.000 0.000 0.216 137 D C 1.855 178.379 176.300 0.373 0.000 0.973 137 D CA 2.145 56.270 54.000 0.208 0.000 0.912 137 D CB -0.092 40.825 40.800 0.195 0.000 0.900 137 D HN 1.155 nan 8.370 nan 0.000 0.501 138 V N -3.033 117.026 119.914 0.241 0.000 3.276 138 V HA 0.340 4.460 4.120 -0.000 0.000 0.319 138 V C 1.283 177.463 176.094 0.144 0.000 1.476 138 V CA 0.151 62.614 62.300 0.272 0.000 1.097 138 V CB 0.060 32.023 31.823 0.233 0.000 0.988 138 V HN 0.187 nan 8.190 nan 0.000 0.473 139 V N -1.477 118.491 119.914 0.090 0.000 2.996 139 V HA 0.547 4.666 4.120 -0.000 0.000 0.235 139 V C -0.054 176.095 176.094 0.091 0.000 1.205 139 V CA 1.431 63.777 62.300 0.076 0.000 1.225 139 V CB 1.205 33.092 31.823 0.107 0.000 0.995 139 V HN 0.536 nan 8.190 nan 0.000 0.484 140 D N -0.015 120.400 120.400 0.025 0.000 2.738 140 D HA 0.363 5.003 4.640 -0.000 0.000 0.218 140 D C -1.501 174.652 176.300 -0.246 0.000 1.345 140 D CA -0.173 53.814 54.000 -0.021 0.000 0.943 140 D CB 1.323 42.156 40.800 0.055 0.000 1.514 140 D HN 0.310 nan 8.370 nan 0.000 0.585 141 I N 5.625 125.981 120.570 -0.358 0.000 2.337 141 I HA 0.355 4.524 4.170 -0.000 0.000 0.285 141 I C -2.078 173.744 176.117 -0.492 0.000 1.041 141 I CA -1.710 59.295 61.300 -0.492 0.000 1.199 141 I CB 1.545 39.226 38.000 -0.533 0.000 1.370 141 I HN 0.128 nan 8.210 nan 0.000 0.470 142 P HA 0.564 nan 4.420 nan 0.000 0.293 142 P C -0.787 176.406 177.300 -0.179 0.000 1.298 142 P CA -0.441 62.435 63.100 -0.373 0.000 0.757 142 P CB 0.745 32.233 31.700 -0.353 0.000 1.262 143 A N -1.694 121.111 122.820 -0.024 0.000 2.566 143 A HA 0.633 4.953 4.320 -0.000 0.000 0.290 143 A C -2.945 174.631 177.584 -0.013 0.000 1.071 143 A CA -1.110 50.927 52.037 0.001 0.000 0.658 143 A CB 0.492 19.454 19.000 -0.063 0.000 1.285 143 A HN 0.293 nan 8.150 nan 0.000 0.427 144 P HA 0.461 nan 4.420 nan 0.000 0.276 144 P C -0.926 176.318 177.300 -0.093 0.000 1.261 144 P CA 0.363 63.401 63.100 -0.102 0.000 0.800 144 P CB 1.506 33.142 31.700 -0.107 0.000 1.066 145 D N -1.626 118.704 120.400 -0.116 0.000 3.650 145 D HA 0.029 4.669 4.640 -0.000 0.000 0.341 145 D C 1.444 177.704 176.300 -0.066 0.000 1.479 145 D CA -0.171 53.783 54.000 -0.076 0.000 0.963 145 D CB 0.831 41.590 40.800 -0.067 0.000 1.449 145 D HN 0.076 nan 8.370 nan 0.000 0.601 146 V N 0.314 120.209 119.914 -0.031 0.000 2.227 146 V HA -0.104 4.016 4.120 -0.000 0.000 0.249 146 V C 2.009 178.110 176.094 0.012 0.000 1.046 146 V CA 2.545 64.851 62.300 0.009 0.000 1.015 146 V CB -1.681 30.176 31.823 0.057 0.000 0.648 146 V HN 0.623 nan 8.190 nan 0.000 0.460 147 G N 0.609 109.433 108.800 0.039 0.000 2.848 147 G HA2 0.197 4.157 3.960 -0.000 0.000 0.208 147 G HA3 0.197 4.157 3.960 -0.000 0.000 0.208 147 G C 0.667 175.543 174.900 -0.040 0.000 1.152 147 G CA 0.856 45.996 45.100 0.066 0.000 0.789 147 G HN 0.916 nan 8.290 nan 0.000 0.531 148 T N -1.398 113.034 114.554 -0.204 0.000 2.937 148 T HA 0.643 4.993 4.350 -0.000 0.000 0.283 148 T C -0.348 174.233 174.700 -0.197 0.000 1.012 148 T CA -0.663 61.237 62.100 -0.332 0.000 0.997 148 T CB 2.178 70.698 68.868 -0.580 0.000 1.136 148 T HN 0.361 nan 8.240 nan 0.000 0.551 149 N N -1.631 116.942 118.700 -0.212 0.000 3.179 149 N HA 0.536 5.276 4.740 -0.000 0.000 0.250 149 N C 0.890 176.277 175.510 -0.204 0.000 1.507 149 N CA -0.517 52.431 53.050 -0.170 0.000 0.883 149 N CB 0.449 38.850 38.487 -0.145 0.000 1.435 149 N HN 0.688 nan 8.380 nan 0.000 0.532 150 A N -0.632 122.079 122.820 -0.182 0.000 1.986 150 A HA -0.271 4.049 4.320 -0.000 0.000 0.220 150 A C 1.982 179.386 177.584 -0.300 0.000 1.171 150 A CA 2.453 54.369 52.037 -0.200 0.000 0.640 150 A CB -1.020 17.880 19.000 -0.167 0.000 0.811 150 A HN 0.742 nan 8.150 nan 0.000 0.451 151 Q N 0.142 119.715 119.800 -0.379 0.000 2.083 151 Q HA -0.044 4.296 4.340 -0.000 0.000 0.198 151 Q C 1.717 177.199 176.000 -0.864 0.000 0.969 151 Q CA 1.828 57.249 55.803 -0.637 0.000 0.838 151 Q CB -0.488 27.847 28.738 -0.671 0.000 0.900 151 Q HN 0.691 nan 8.270 nan 0.000 0.436 152 I N -0.181 120.040 120.570 -0.583 0.000 2.286 152 I HA -0.273 3.897 4.170 -0.000 0.000 0.248 152 I C 2.060 177.998 176.117 -0.299 0.000 1.115 152 I CA 0.866 61.954 61.300 -0.354 0.000 1.392 152 I CB -0.395 37.485 38.000 -0.200 0.000 1.065 152 I HN 0.282 nan 8.210 nan 0.000 0.418 153 M N 0.602 120.016 119.600 -0.310 0.000 2.108 153 M HA -0.186 4.294 4.480 -0.000 0.000 0.261 153 M C 2.658 178.764 176.300 -0.323 0.000 1.066 153 M CA 1.991 57.117 55.300 -0.291 0.000 1.107 153 M CB -1.354 31.157 32.600 -0.148 0.000 1.356 153 M HN 0.337 nan 8.290 nan 0.000 0.406 154 A N 0.167 122.794 122.820 -0.321 0.000 1.851 154 A HA -0.199 4.121 4.320 -0.000 0.000 0.216 154 A C 1.913 179.408 177.584 -0.148 0.000 1.195 154 A CA 1.579 53.456 52.037 -0.268 0.000 0.622 154 A CB -1.211 17.566 19.000 -0.371 0.000 0.831 154 A HN 0.590 nan 8.150 nan 0.000 0.444 155 W N -0.629 120.591 121.300 -0.134 0.000 2.325 155 W HA -0.189 4.471 4.660 -0.000 0.000 0.299 155 W C 2.414 178.850 176.519 -0.139 0.000 1.215 155 W CA 1.369 58.652 57.345 -0.105 0.000 1.244 155 W CB -1.177 28.239 29.460 -0.073 0.000 1.140 155 W HN 0.340 nan 8.180 nan 0.000 0.523 156 M N -0.612 118.943 119.600 -0.076 0.000 2.099 156 M HA -0.201 4.279 4.480 -0.000 0.000 0.262 156 M C 2.086 178.198 176.300 -0.314 0.000 1.067 156 M CA 1.498 56.592 55.300 -0.344 0.000 1.124 156 M CB -0.890 31.125 32.600 -0.975 0.000 1.353 156 M HN -0.301 nan 8.290 nan 0.000 0.410 157 V N 0.475 120.192 119.914 -0.327 0.000 2.255 157 V HA -0.348 3.772 4.120 -0.000 0.000 0.247 157 V C 1.834 178.025 176.094 0.161 0.000 1.051 157 V CA 2.428 64.743 62.300 0.025 0.000 1.018 157 V CB -0.802 31.095 31.823 0.123 0.000 0.641 157 V HN 0.511 nan 8.190 nan 0.000 0.445 158 D N -0.344 120.131 120.400 0.124 0.000 2.127 158 D HA -0.267 4.373 4.640 -0.000 0.000 0.190 158 D C 2.116 178.499 176.300 0.139 0.000 1.000 158 D CA 1.950 56.042 54.000 0.152 0.000 0.839 158 D CB -0.129 40.757 40.800 0.144 0.000 0.955 158 D HN 0.437 nan 8.370 nan 0.000 0.446 159 E N -0.851 119.421 120.200 0.119 0.000 2.048 159 E HA -0.266 4.084 4.350 -0.000 0.000 0.202 159 E C 2.028 178.702 176.600 0.124 0.000 1.021 159 E CA 1.408 57.870 56.400 0.104 0.000 0.825 159 E CB -0.825 28.935 29.700 0.098 0.000 0.756 159 E HN 0.562 nan 8.360 nan 0.000 0.454 160 Y N 0.442 120.777 120.300 0.057 0.000 2.193 160 Y HA -0.243 4.307 4.550 -0.000 0.000 0.285 160 Y C 2.391 178.298 175.900 0.012 0.000 1.166 160 Y CA 2.040 60.181 58.100 0.069 0.000 1.181 160 Y CB -0.323 38.234 38.460 0.162 0.000 0.976 160 Y HN 0.036 nan 8.280 nan 0.000 0.520 161 S N 0.070 115.855 115.700 0.141 0.000 2.406 161 S HA -0.159 4.311 4.470 -0.000 0.000 0.228 161 S C 1.729 176.294 174.600 -0.058 0.000 1.020 161 S CA 1.425 59.636 58.200 0.018 0.000 0.965 161 S CB -0.273 63.015 63.200 0.147 0.000 0.798 161 S HN 0.635 nan 8.310 nan 0.000 0.488 162 K N 0.896 121.290 120.400 -0.009 0.000 2.525 162 K HA 0.166 4.486 4.320 -0.000 0.000 0.192 162 K C 1.377 177.941 176.600 -0.060 0.000 1.029 162 K CA 0.637 56.917 56.287 -0.012 0.000 1.029 162 K CB -0.200 32.311 32.500 0.018 0.000 0.814 162 K HN 0.337 nan 8.250 nan 0.000 0.503 163 I N 0.931 121.418 120.570 -0.138 0.000 2.628 163 I HA -0.083 4.087 4.170 -0.000 0.000 0.255 163 I C 1.817 177.799 176.117 -0.226 0.000 1.119 163 I CA 0.317 61.509 61.300 -0.179 0.000 1.448 163 I CB 0.071 37.925 38.000 -0.243 0.000 1.133 163 I HN 0.016 nan 8.210 nan 0.000 0.438 164 K N 0.892 121.069 120.400 -0.372 0.000 2.167 164 K HA 0.098 4.418 4.320 -0.000 0.000 0.203 164 K C 1.460 177.980 176.600 -0.133 0.000 1.052 164 K CA 1.207 57.280 56.287 -0.355 0.000 0.956 164 K CB -0.237 31.813 32.500 -0.750 0.000 0.735 164 K HN 0.455 nan 8.250 nan 0.000 0.451 165 G N 0.693 109.417 108.800 -0.126 0.000 2.168 165 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.197 165 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.197 165 G C -0.109 174.908 174.900 0.196 0.000 0.997 165 G CA 0.307 45.449 45.100 0.071 0.000 0.658 165 G HN 0.342 nan 8.290 nan 0.000 0.513 166 Y N -1.653 118.680 120.300 0.055 0.000 2.764 166 Y HA 0.695 5.245 4.550 -0.000 0.000 0.331 166 Y C -0.414 175.568 175.900 0.137 0.000 1.280 166 Y CA -1.900 56.250 58.100 0.082 0.000 1.065 166 Y CB 0.114 38.611 38.460 0.062 0.000 1.319 166 Y HN 0.003 nan 8.280 nan 0.000 0.453 167 N N 0.110 118.984 118.700 0.289 0.000 2.470 167 N HA 0.485 5.225 4.740 -0.000 0.000 0.268 167 N C -1.507 174.110 175.510 0.179 0.000 1.136 167 N CA -0.429 52.760 53.050 0.233 0.000 0.961 167 N CB 1.423 40.099 38.487 0.314 0.000 1.067 167 N HN 0.456 nan 8.380 nan 0.000 0.468 168 V N 5.207 125.148 119.914 0.045 0.000 2.276 168 V HA 0.195 4.315 4.120 -0.000 0.000 0.268 168 V C -1.431 174.608 176.094 -0.092 0.000 1.032 168 V CA -1.134 61.184 62.300 0.031 0.000 0.810 168 V CB 1.075 33.014 31.823 0.192 0.000 1.060 168 V HN 0.695 nan 8.190 nan 0.000 0.446 169 P HA -0.056 nan 4.420 nan 0.000 0.213 169 P C 1.679 178.920 177.300 -0.099 0.000 1.170 169 P CA 1.375 64.260 63.100 -0.359 0.000 0.889 169 P CB 0.263 31.399 31.700 -0.941 0.000 0.782 170 G N 0.283 108.978 108.800 -0.176 0.000 2.601 170 G HA2 -0.182 3.778 3.960 -0.000 0.000 0.214 170 G HA3 -0.182 3.778 3.960 -0.000 0.000 0.214 170 G C 1.508 176.500 174.900 0.154 0.000 1.132 170 G CA 0.321 45.456 45.100 0.058 0.000 0.761 170 G HN 0.298 nan 8.290 nan 0.000 0.550 171 V N -1.080 118.857 119.914 0.039 0.000 2.719 171 V HA 0.372 4.492 4.120 -0.000 0.000 0.252 171 V C 0.098 176.015 176.094 -0.296 0.000 1.065 171 V CA 0.777 62.994 62.300 -0.139 0.000 1.086 171 V CB -0.236 31.433 31.823 -0.257 0.000 0.700 171 V HN 0.142 nan 8.190 nan 0.000 0.467 172 F N -0.159 119.754 119.950 -0.062 0.000 2.569 172 F HA 0.540 5.066 4.527 -0.000 0.000 0.312 172 F C 0.413 176.198 175.800 -0.026 0.000 1.109 172 F CA -0.492 57.472 58.000 -0.060 0.000 0.919 172 F CB 1.841 40.812 39.000 -0.049 0.000 1.211 172 F HN -0.052 nan 8.300 nan 0.000 0.446 173 T N -1.914 112.703 114.554 0.105 0.000 2.893 173 T HA 0.460 4.810 4.350 -0.000 0.000 0.279 173 T C 0.517 175.242 174.700 0.043 0.000 0.991 173 T CA -0.428 61.712 62.100 0.067 0.000 0.950 173 T CB 1.324 70.210 68.868 0.028 0.000 1.223 173 T HN 0.766 nan 8.240 nan 0.000 0.585 174 S N 0.401 116.106 115.700 0.008 0.000 3.682 174 S HA -0.153 4.316 4.470 -0.000 0.000 0.354 174 S C 0.121 174.694 174.600 -0.045 0.000 1.034 174 S CA 0.953 59.136 58.200 -0.028 0.000 1.084 174 S CB -1.815 61.366 63.200 -0.032 0.000 0.903 174 S HN 0.959 nan 8.310 nan 0.000 0.470 175 K N -0.319 120.060 120.400 -0.034 0.000 2.132 175 K HA 0.724 5.044 4.320 -0.000 0.000 0.241 175 K C -2.824 173.714 176.600 -0.104 0.000 1.000 175 K CA -2.568 53.679 56.287 -0.067 0.000 0.911 175 K CB -0.033 32.455 32.500 -0.020 0.000 1.093 175 K HN -0.020 nan 8.250 nan 0.000 0.460 176 P HA -0.030 nan 4.420 nan 0.000 0.263 176 P C -2.196 175.015 177.300 -0.149 0.000 1.175 176 P CA -0.791 62.212 63.100 -0.162 0.000 0.761 176 P CB 0.069 31.648 31.700 -0.202 0.000 0.794 177 P HA -0.160 nan 4.420 nan 0.000 0.219 177 P C 0.736 177.957 177.300 -0.131 0.000 1.146 177 P CA 1.421 64.451 63.100 -0.117 0.000 0.808 177 P CB 0.041 31.678 31.700 -0.104 0.000 0.779 178 E N -1.190 118.914 120.200 -0.160 0.000 2.371 178 E HA 0.034 4.384 4.350 -0.000 0.000 0.194 178 E C 0.943 177.350 176.600 -0.322 0.000 1.012 178 E CA 0.373 56.660 56.400 -0.188 0.000 0.860 178 E CB -0.263 29.337 29.700 -0.165 0.000 0.811 178 E HN 0.158 nan 8.360 nan 0.000 0.502 179 L N 0.717 121.713 121.223 -0.379 0.000 3.047 179 L HA 0.118 4.457 4.340 -0.000 0.000 0.242 179 L C -0.698 175.869 176.870 -0.504 0.000 1.315 179 L CA 0.036 54.459 54.840 -0.694 0.000 1.042 179 L CB -0.312 41.426 42.059 -0.534 0.000 1.420 179 L HN 0.448 nan 8.230 nan 0.000 0.517 180 W N -0.857 120.401 121.300 -0.070 0.000 3.160 180 W HA -0.217 4.443 4.660 -0.000 0.000 0.299 180 W C 0.713 177.148 176.519 -0.140 0.000 1.141 180 W CA 0.642 57.918 57.345 -0.115 0.000 0.612 180 W CB -2.287 27.078 29.460 -0.159 0.000 2.186 180 W HN 0.444 nan 8.180 nan 0.000 1.364 181 G N 0.455 109.255 108.800 0.000 0.000 2.510 181 G HA2 0.475 4.435 3.960 -0.000 0.000 0.280 181 G HA3 0.475 4.435 3.960 -0.000 0.000 0.280 181 G C -0.248 174.607 174.900 -0.075 0.000 1.386 181 G CA -0.266 44.809 45.100 -0.041 0.000 1.047 181 G HN 0.061 nan 8.290 nan 0.000 0.527 182 N N -0.808 117.834 118.700 -0.096 0.000 2.371 182 N HA 0.341 5.081 4.740 -0.000 0.000 0.291 182 N C -2.017 173.406 175.510 -0.145 0.000 1.053 182 N CA -1.608 51.374 53.050 -0.113 0.000 0.870 182 N CB 2.556 40.976 38.487 -0.111 0.000 1.503 182 N HN -0.078 nan 8.380 nan 0.000 0.485 183 P HA -0.090 nan 4.420 nan 0.000 0.215 183 P C 1.320 178.402 177.300 -0.364 0.000 1.153 183 P CA 0.783 63.763 63.100 -0.200 0.000 0.853 183 P CB 0.419 32.038 31.700 -0.135 0.000 0.788 184 V N 0.314 120.000 119.914 -0.380 0.000 2.909 184 V HA -0.255 3.865 4.120 -0.000 0.000 0.265 184 V C 2.456 178.105 176.094 -0.743 0.000 1.128 184 V CA 1.445 63.342 62.300 -0.670 0.000 1.149 184 V CB -1.173 30.442 31.823 -0.347 0.000 0.725 184 V HN 0.177 nan 8.190 nan 0.000 0.511 185 R N 0.399 120.631 120.500 -0.446 0.000 2.189 185 R HA -0.155 4.185 4.340 -0.000 0.000 0.218 185 R C 2.172 178.261 176.300 -0.351 0.000 1.074 185 R CA 1.389 57.301 56.100 -0.313 0.000 0.991 185 R CB -0.109 30.079 30.300 -0.186 0.000 0.883 185 R HN 0.733 nan 8.270 nan 0.000 0.457 186 E N 0.196 120.096 120.200 -0.500 0.000 2.058 186 E HA -0.217 4.133 4.350 -0.000 0.000 0.194 186 E C 0.425 176.750 176.600 -0.458 0.000 0.997 186 E CA 1.535 57.679 56.400 -0.427 0.000 0.801 186 E CB -0.094 29.327 29.700 -0.465 0.000 0.746 186 E HN 0.534 nan 8.360 nan 0.000 0.450 187 Y N -2.809 117.216 120.300 -0.457 0.000 2.696 187 Y HA 0.652 5.202 4.550 -0.000 0.000 0.260 187 Y C 1.222 177.099 175.900 -0.039 0.000 1.165 187 Y CA -0.184 57.696 58.100 -0.367 0.000 1.189 187 Y CB -0.556 37.558 38.460 -0.576 0.000 1.180 187 Y HN 0.031 nan 8.280 nan 0.000 0.538 188 A N 0.966 123.733 122.820 -0.088 0.000 1.865 188 A HA -0.200 4.120 4.320 -0.000 0.000 0.217 188 A C 2.201 179.887 177.584 0.170 0.000 1.191 188 A CA 2.754 54.803 52.037 0.020 0.000 0.623 188 A CB -1.246 17.719 19.000 -0.059 0.000 0.826 188 A HN 0.491 nan 8.150 nan 0.000 0.444 189 T N -0.210 114.431 114.554 0.146 0.000 2.652 189 T HA -0.074 4.276 4.350 -0.000 0.000 0.267 189 T C 1.990 176.821 174.700 0.218 0.000 1.039 189 T CA 1.685 63.880 62.100 0.159 0.000 1.153 189 T CB -0.903 68.043 68.868 0.130 0.000 0.863 189 T HN 0.626 nan 8.240 nan 0.000 0.428 190 G N 0.859 109.848 108.800 0.316 0.000 2.514 190 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.217 190 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.217 190 G C 1.358 176.480 174.900 0.371 0.000 1.198 190 G CA 0.844 46.181 45.100 0.395 0.000 0.780 190 G HN 0.459 nan 8.290 nan 0.000 0.565 191 F N 2.416 122.505 119.950 0.231 0.000 2.087 191 F HA -0.112 4.415 4.527 -0.000 0.000 0.299 191 F C 2.614 178.393 175.800 -0.034 0.000 1.100 191 F CA 2.052 60.006 58.000 -0.076 0.000 1.226 191 F CB -0.490 38.303 39.000 -0.345 0.000 0.983 191 F HN 0.134 nan 8.300 nan 0.000 0.479 192 G N -0.285 108.621 108.800 0.177 0.000 2.421 192 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.216 192 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.216 192 G C 1.723 176.615 174.900 -0.014 0.000 1.171 192 G CA 1.206 46.350 45.100 0.072 0.000 0.775 192 G HN 0.352 nan 8.290 nan 0.000 0.543 193 V N 1.577 121.513 119.914 0.036 0.000 2.407 193 V HA -0.138 3.982 4.120 -0.000 0.000 0.248 193 V C 3.300 179.379 176.094 -0.026 0.000 1.055 193 V CA 1.962 64.270 62.300 0.014 0.000 1.049 193 V CB -0.833 31.018 31.823 0.047 0.000 0.662 193 V HN 0.494 nan 8.190 nan 0.000 0.455 194 A N 0.023 122.822 122.820 -0.035 0.000 1.877 194 A HA -0.153 4.167 4.320 -0.000 0.000 0.216 194 A C 2.369 179.850 177.584 -0.172 0.000 1.186 194 A CA 2.114 54.108 52.037 -0.071 0.000 0.620 194 A CB -0.691 18.290 19.000 -0.033 0.000 0.822 194 A HN 0.353 nan 8.150 nan 0.000 0.443 195 V N -0.077 119.652 119.914 -0.307 0.000 2.407 195 V HA -0.217 3.903 4.120 -0.000 0.000 0.248 195 V C 3.001 179.005 176.094 -0.149 0.000 1.055 195 V CA 1.827 63.959 62.300 -0.280 0.000 1.049 195 V CB -1.366 30.255 31.823 -0.337 0.000 0.662 195 V HN 0.610 nan 8.190 nan 0.000 0.455 196 A N -0.195 122.559 122.820 -0.110 0.000 1.877 196 A HA -0.256 4.064 4.320 -0.000 0.000 0.216 196 A C 2.498 180.027 177.584 -0.093 0.000 1.186 196 A CA 2.533 54.521 52.037 -0.082 0.000 0.620 196 A CB -1.038 17.929 19.000 -0.054 0.000 0.822 196 A HN 0.466 nan 8.150 nan 0.000 0.443 197 T N -1.192 113.313 114.554 -0.082 0.000 2.867 197 T HA -0.170 4.180 4.350 -0.000 0.000 0.268 197 T C 2.066 176.714 174.700 -0.087 0.000 1.057 197 T CA 1.636 63.688 62.100 -0.080 0.000 1.136 197 T CB -0.351 68.492 68.868 -0.043 0.000 0.874 197 T HN 0.546 nan 8.240 nan 0.000 0.466 198 R N 0.055 120.507 120.500 -0.080 0.000 2.081 198 R HA -0.067 4.272 4.340 -0.000 0.000 0.235 198 R C 2.235 178.479 176.300 -0.093 0.000 1.131 198 R CA 1.490 57.549 56.100 -0.069 0.000 0.960 198 R CB -0.097 30.156 30.300 -0.077 0.000 0.856 198 R HN 0.346 nan 8.270 nan 0.000 0.436 199 E N 0.303 120.434 120.200 -0.114 0.000 2.107 199 E HA -0.174 4.176 4.350 -0.000 0.000 0.191 199 E C 1.806 178.290 176.600 -0.193 0.000 0.982 199 E CA 1.019 57.339 56.400 -0.134 0.000 0.809 199 E CB -0.168 29.461 29.700 -0.118 0.000 0.756 199 E HN 0.249 nan 8.360 nan 0.000 0.459 200 M N 0.589 120.065 119.600 -0.207 0.000 2.175 200 M HA 0.009 4.489 4.480 -0.000 0.000 0.264 200 M C 1.996 178.066 176.300 -0.382 0.000 1.063 200 M CA 1.212 56.346 55.300 -0.276 0.000 1.119 200 M CB -0.498 31.956 32.600 -0.244 0.000 1.377 200 M HN 0.063 nan 8.290 nan 0.000 0.415 201 A N -0.907 121.696 122.820 -0.363 0.000 2.067 201 A HA -0.151 4.169 4.320 -0.000 0.000 0.219 201 A C 2.062 179.521 177.584 -0.209 0.000 1.158 201 A CA 1.431 53.206 52.037 -0.436 0.000 0.661 201 A CB -0.620 18.331 19.000 -0.082 0.000 0.801 201 A HN 0.542 nan 8.150 nan 0.000 0.452 202 K N -0.573 119.728 120.400 -0.165 0.000 2.418 202 K HA 0.061 4.381 4.320 -0.000 0.000 0.195 202 K C 1.154 177.668 176.600 -0.143 0.000 1.035 202 K CA 0.678 56.903 56.287 -0.103 0.000 1.003 202 K CB 0.141 32.586 32.500 -0.093 0.000 0.793 202 K HN 0.359 nan 8.250 nan 0.000 0.494 203 K N -0.159 120.097 120.400 -0.240 0.000 2.373 203 K HA 0.200 4.520 4.320 -0.000 0.000 0.200 203 K C 1.263 177.779 176.600 -0.141 0.000 1.054 203 K CA 0.130 56.266 56.287 -0.252 0.000 1.065 203 K CB 0.770 32.912 32.500 -0.596 0.000 0.886 203 K HN 0.051 nan 8.250 nan 0.000 0.546 204 L N -1.174 119.899 121.223 -0.250 0.000 2.547 204 L HA 0.157 4.497 4.340 -0.000 0.000 0.218 204 L C 1.205 178.019 176.870 -0.094 0.000 1.048 204 L CA 0.281 54.964 54.840 -0.262 0.000 0.859 204 L CB 0.169 41.852 42.059 -0.628 0.000 1.128 204 L HN 0.241 nan 8.230 nan 0.000 0.483 205 W N -0.430 120.890 121.300 0.033 0.000 2.773 205 W HA 0.445 5.105 4.660 -0.000 0.000 0.297 205 W C 1.323 177.849 176.519 0.012 0.000 1.050 205 W CA 0.498 57.857 57.345 0.024 0.000 1.467 205 W CB -0.259 29.212 29.460 0.019 0.000 0.977 205 W HN 0.234 nan 8.180 nan 0.000 0.573 206 G N 1.016 109.907 108.800 0.152 0.000 2.157 206 G HA2 0.123 4.082 3.960 -0.000 0.000 0.239 206 G HA3 0.123 4.082 3.960 -0.000 0.000 0.239 206 G C 0.383 175.335 174.900 0.087 0.000 0.982 206 G CA 0.120 45.273 45.100 0.089 0.000 0.650 206 G HN 0.759 nan 8.290 nan 0.000 0.527 207 G N -1.629 107.248 108.800 0.129 0.000 2.386 207 G HA2 0.497 4.457 3.960 -0.000 0.000 0.302 207 G HA3 0.497 4.457 3.960 -0.000 0.000 0.302 207 G C 0.227 175.239 174.900 0.187 0.000 1.629 207 G CA 0.055 45.220 45.100 0.108 0.000 0.917 207 G HN 0.937 nan 8.290 nan 0.000 0.676 208 I N -0.064 120.588 120.570 0.137 0.000 3.419 208 I HA 0.189 4.359 4.170 -0.000 0.000 0.286 208 I C 0.828 177.013 176.117 0.113 0.000 1.268 208 I CA -0.031 61.376 61.300 0.177 0.000 1.414 208 I CB -0.009 38.056 38.000 0.108 0.000 1.074 208 I HN 0.583 nan 8.210 nan 0.000 0.457 209 E N 1.701 121.944 120.200 0.072 0.000 2.829 209 E HA 0.079 4.429 4.350 -0.000 0.000 0.264 209 E C 0.811 177.423 176.600 0.021 0.000 0.922 209 E CA 1.239 57.661 56.400 0.036 0.000 0.960 209 E CB -0.253 29.463 29.700 0.027 0.000 0.918 209 E HN 0.469 nan 8.360 nan 0.000 0.497 210 G N 2.467 111.266 108.800 -0.002 0.000 2.370 210 G HA2 -0.305 3.655 3.960 -0.000 0.000 0.293 210 G HA3 -0.305 3.655 3.960 -0.000 0.000 0.293 210 G C -0.495 174.377 174.900 -0.048 0.000 0.992 210 G CA 0.307 45.391 45.100 -0.027 0.000 1.247 210 G HN 0.244 nan 8.290 nan 0.000 0.505 211 K N 0.128 120.508 120.400 -0.033 0.000 2.471 211 K HA 0.621 4.941 4.320 -0.000 0.000 0.252 211 K C 0.358 176.931 176.600 -0.045 0.000 0.938 211 K CA -0.251 56.001 56.287 -0.058 0.000 0.796 211 K CB 1.654 34.168 32.500 0.023 0.000 1.161 211 K HN 0.273 nan 8.250 nan 0.000 0.425 212 T N 2.290 116.799 114.554 -0.075 0.000 2.853 212 T HA 0.349 4.699 4.350 -0.000 0.000 0.298 212 T C -0.349 174.334 174.700 -0.028 0.000 0.978 212 T CA -0.274 61.786 62.100 -0.067 0.000 1.152 212 T CB -0.042 68.779 68.868 -0.078 0.000 0.914 212 T HN 0.188 nan 8.240 nan 0.000 0.539 213 V N 4.005 123.900 119.914 -0.033 0.000 2.769 213 V HA 0.840 4.960 4.120 -0.000 0.000 0.312 213 V C 0.136 176.221 176.094 -0.016 0.000 1.061 213 V CA -1.093 61.208 62.300 0.002 0.000 0.931 213 V CB 1.790 33.615 31.823 0.003 0.000 1.010 213 V HN 1.130 nan 8.190 nan 0.000 0.433 214 A N 4.456 127.302 122.820 0.045 0.000 2.332 214 A HA 0.862 5.182 4.320 -0.000 0.000 0.300 214 A C -1.119 176.484 177.584 0.032 0.000 1.153 214 A CA -0.333 51.741 52.037 0.062 0.000 0.764 214 A CB 0.577 19.676 19.000 0.166 0.000 1.174 214 A HN 0.644 nan 8.150 nan 0.000 0.467 215 I N 1.667 122.211 120.570 -0.042 0.000 2.321 215 I HA 0.287 4.456 4.170 -0.000 0.000 0.291 215 I C 0.412 176.481 176.117 -0.081 0.000 0.998 215 I CA 0.069 61.309 61.300 -0.100 0.000 1.227 215 I CB 1.848 39.809 38.000 -0.064 0.000 1.368 215 I HN 0.746 nan 8.210 nan 0.000 0.466 216 Q N 5.753 125.468 119.800 -0.142 0.000 2.322 216 Q HA 0.604 4.944 4.340 -0.000 0.000 0.256 216 Q C -0.113 175.854 176.000 -0.054 0.000 0.960 216 Q CA -0.315 55.443 55.803 -0.075 0.000 0.934 216 Q CB 0.985 29.675 28.738 -0.080 0.000 1.200 216 Q HN 0.951 nan 8.270 nan 0.000 0.435 217 G N 3.939 112.730 108.800 -0.015 0.000 2.907 217 G HA2 -0.091 3.869 3.960 -0.000 0.000 0.686 217 G HA3 -0.091 3.869 3.960 -0.000 0.000 0.686 217 G C -0.420 174.486 174.900 0.010 0.000 1.115 217 G CA -0.562 44.540 45.100 0.004 0.000 0.760 217 G HN 0.541 nan 8.290 nan 0.000 0.620 218 M N 2.788 122.401 119.600 0.022 0.000 2.876 218 M HA 0.281 4.761 4.480 -0.000 0.000 0.367 218 M C 1.465 177.773 176.300 0.014 0.000 1.242 218 M CA 0.030 55.340 55.300 0.018 0.000 0.889 218 M CB -0.032 32.587 32.600 0.031 0.000 1.353 218 M HN 0.870 nan 8.290 nan 0.000 0.511 219 G N 1.160 109.979 108.800 0.032 0.000 3.107 219 G HA2 -0.048 3.912 3.960 -0.000 0.000 0.155 219 G HA3 -0.048 3.912 3.960 -0.000 0.000 0.155 219 G C 0.924 175.872 174.900 0.080 0.000 1.875 219 G CA 0.203 45.332 45.100 0.048 0.000 1.004 219 G HN 0.481 nan 8.290 nan 0.000 0.480 220 N N -1.165 117.606 118.700 0.119 0.000 2.349 220 N HA -0.057 4.683 4.740 -0.000 0.000 0.180 220 N C 2.380 178.053 175.510 0.271 0.000 1.024 220 N CA 0.833 54.012 53.050 0.215 0.000 0.869 220 N CB 0.214 38.805 38.487 0.175 0.000 1.022 220 N HN 0.176 nan 8.380 nan 0.000 0.433 221 V N 1.169 121.191 119.914 0.180 0.000 2.221 221 V HA -0.077 4.043 4.120 -0.000 0.000 0.242 221 V C 2.641 178.838 176.094 0.172 0.000 1.041 221 V CA 2.136 64.545 62.300 0.181 0.000 0.995 221 V CB -1.363 30.523 31.823 0.106 0.000 0.635 221 V HN 0.427 nan 8.190 nan 0.000 0.448 222 G N -0.215 108.641 108.800 0.093 0.000 2.469 222 G HA2 -0.343 3.617 3.960 -0.000 0.000 0.219 222 G HA3 -0.343 3.617 3.960 -0.000 0.000 0.219 222 G C 1.671 176.609 174.900 0.063 0.000 1.150 222 G CA 1.216 46.350 45.100 0.057 0.000 0.763 222 G HN 0.459 nan 8.290 nan 0.000 0.561 223 R N -0.543 119.977 120.500 0.033 0.000 2.122 223 R HA -0.182 4.157 4.340 -0.000 0.000 0.236 223 R C 2.225 178.415 176.300 -0.183 0.000 1.129 223 R CA 2.193 58.217 56.100 -0.127 0.000 0.925 223 R CB -0.498 29.663 30.300 -0.230 0.000 0.850 223 R HN 0.508 nan 8.270 nan 0.000 0.431 224 W N -0.294 121.112 121.300 0.177 0.000 3.047 224 W HA 0.117 4.777 4.660 -0.000 0.000 0.250 224 W C 2.076 178.820 176.519 0.375 0.000 1.314 224 W CA 0.459 57.970 57.345 0.277 0.000 1.540 224 W CB 0.204 29.901 29.460 0.396 0.000 1.127 224 W HN 0.149 nan 8.180 nan 0.000 0.679 225 T N -0.029 114.767 114.554 0.403 0.000 2.896 225 T HA -0.083 4.267 4.350 -0.000 0.000 0.263 225 T C 2.098 176.926 174.700 0.214 0.000 1.050 225 T CA 1.559 63.836 62.100 0.296 0.000 1.140 225 T CB -0.385 68.580 68.868 0.162 0.000 0.877 225 T HN 0.156 nan 8.240 nan 0.000 0.457 226 A N 0.567 123.476 122.820 0.148 0.000 1.872 226 A HA -0.027 4.293 4.320 -0.000 0.000 0.214 226 A C 2.065 179.701 177.584 0.087 0.000 1.187 226 A CA 1.332 53.418 52.037 0.082 0.000 0.614 226 A CB -1.011 18.020 19.000 0.051 0.000 0.826 226 A HN 0.577 nan 8.150 nan 0.000 0.442 227 Y N -0.974 119.305 120.300 -0.035 0.000 2.097 227 Y HA -0.279 4.270 4.550 -0.000 0.000 0.282 227 Y C 2.131 177.955 175.900 -0.128 0.000 1.152 227 Y CA 2.086 60.100 58.100 -0.143 0.000 1.136 227 Y CB -0.554 37.728 38.460 -0.297 0.000 0.975 227 Y HN 0.427 nan 8.280 nan 0.000 0.498 228 W N -0.640 120.774 121.300 0.190 0.000 2.425 228 W HA -0.130 4.529 4.660 -0.000 0.000 0.277 228 W C 2.114 178.589 176.519 -0.072 0.000 1.231 228 W CA 0.304 57.677 57.345 0.046 0.000 1.248 228 W CB -0.341 29.239 29.460 0.200 0.000 1.117 228 W HN 0.149 nan 8.180 nan 0.000 0.568 229 L N 1.192 122.507 121.223 0.153 0.000 2.083 229 L HA -0.213 4.127 4.340 -0.000 0.000 0.209 229 L C 2.424 179.295 176.870 0.000 0.000 1.083 229 L CA 2.446 57.323 54.840 0.062 0.000 0.752 229 L CB -1.305 40.783 42.059 0.049 0.000 0.899 229 L HN 0.227 nan 8.230 nan 0.000 0.433 230 E N -0.896 119.266 120.200 -0.063 0.000 2.072 230 E HA -0.258 4.092 4.350 -0.000 0.000 0.191 230 E C 1.909 178.454 176.600 -0.091 0.000 0.985 230 E CA 1.255 57.601 56.400 -0.091 0.000 0.801 230 E CB -0.271 29.347 29.700 -0.137 0.000 0.750 230 E HN 0.147 nan 8.360 nan 0.000 0.452 231 K N -0.104 120.215 120.400 -0.134 0.000 2.442 231 K HA -0.026 4.294 4.320 -0.000 0.000 0.200 231 K C 1.441 178.051 176.600 0.017 0.000 1.045 231 K CA 1.336 57.582 56.287 -0.068 0.000 0.937 231 K CB -0.064 32.419 32.500 -0.028 0.000 0.757 231 K HN 0.347 nan 8.250 nan 0.000 0.474 232 M N -1.849 117.762 119.600 0.018 0.000 2.371 232 M HA 0.175 4.654 4.480 -0.000 0.000 0.246 232 M C 0.844 177.150 176.300 0.011 0.000 1.103 232 M CA 0.449 55.761 55.300 0.020 0.000 1.010 232 M CB 1.068 33.674 32.600 0.010 0.000 1.457 232 M HN 0.340 nan 8.290 nan 0.000 0.486 233 G N 0.248 109.047 108.800 -0.000 0.000 2.259 233 G HA2 -0.177 3.783 3.960 -0.000 0.000 0.217 233 G HA3 -0.177 3.783 3.960 -0.000 0.000 0.217 233 G C 0.331 175.230 174.900 -0.002 0.000 1.001 233 G CA -0.145 44.955 45.100 -0.000 0.000 0.627 233 G HN 0.611 nan 8.290 nan 0.000 0.501 234 A N -0.039 122.783 122.820 0.004 0.000 2.346 234 A HA 0.693 5.013 4.320 -0.000 0.000 0.255 234 A C 0.452 178.021 177.584 -0.024 0.000 1.113 234 A CA 1.221 53.261 52.037 0.005 0.000 0.798 234 A CB 0.440 19.453 19.000 0.022 0.000 1.073 234 A HN 0.823 nan 8.150 nan 0.000 0.502 235 K N 0.159 120.538 120.400 -0.036 0.000 2.601 235 K HA 0.490 4.810 4.320 -0.000 0.000 0.249 235 K C -1.741 174.808 176.600 -0.085 0.000 0.966 235 K CA -0.454 55.795 56.287 -0.063 0.000 0.827 235 K CB 1.638 34.097 32.500 -0.068 0.000 1.178 235 K HN 0.437 nan 8.250 nan 0.000 0.437 236 V N 6.802 126.656 119.914 -0.100 0.000 2.488 236 V HA 0.135 4.255 4.120 -0.000 0.000 0.277 236 V C 1.229 177.193 176.094 -0.217 0.000 1.046 236 V CA -0.100 62.120 62.300 -0.134 0.000 0.986 236 V CB 0.713 32.462 31.823 -0.123 0.000 0.989 236 V HN 0.808 nan 8.190 nan 0.000 0.475 237 I N 2.059 122.475 120.570 -0.257 0.000 3.790 237 I HA 0.662 4.832 4.170 -0.000 0.000 0.305 237 I C 0.834 176.669 176.117 -0.470 0.000 1.253 237 I CA 0.298 61.352 61.300 -0.410 0.000 1.355 237 I CB 0.413 38.120 38.000 -0.488 0.000 1.137 237 I HN 0.522 nan 8.210 nan 0.000 0.435 238 A N 1.476 124.114 122.820 -0.304 0.000 2.498 238 A HA 0.812 5.132 4.320 -0.000 0.000 0.298 238 A C -0.806 176.675 177.584 -0.170 0.000 1.075 238 A CA -0.304 51.603 52.037 -0.216 0.000 0.714 238 A CB 2.010 20.964 19.000 -0.077 0.000 1.299 238 A HN 0.493 nan 8.150 nan 0.000 0.407 239 V N -0.277 119.543 119.914 -0.157 0.000 2.697 239 V HA 0.772 4.892 4.120 -0.000 0.000 0.300 239 V C -0.275 175.779 176.094 -0.066 0.000 1.115 239 V CA -0.051 62.188 62.300 -0.102 0.000 0.912 239 V CB 0.617 32.373 31.823 -0.110 0.000 1.024 239 V HN 1.477 nan 8.190 nan 0.000 0.431 240 S N 2.504 118.181 115.700 -0.039 0.000 2.767 240 S HA 0.963 5.433 4.470 -0.000 0.000 0.300 240 S C -0.650 173.947 174.600 -0.005 0.000 1.123 240 S CA -0.103 58.076 58.200 -0.035 0.000 0.992 240 S CB 2.310 65.495 63.200 -0.026 0.000 1.138 240 S HN 1.217 nan 8.310 nan 0.000 0.550 241 D N -1.999 118.403 120.400 0.002 0.000 2.804 241 D HA 0.239 4.879 4.640 -0.000 0.000 0.309 241 D C 0.689 177.011 176.300 0.036 0.000 1.311 241 D CA -0.636 53.381 54.000 0.027 0.000 0.765 241 D CB 0.075 40.900 40.800 0.040 0.000 1.293 241 D HN 0.457 nan 8.370 nan 0.000 0.434 242 I N 0.793 121.391 120.570 0.047 0.000 2.236 242 I HA -0.284 3.885 4.170 -0.000 0.000 0.249 242 I C 2.018 178.176 176.117 0.067 0.000 1.102 242 I CA 1.481 62.813 61.300 0.054 0.000 1.365 242 I CB -0.549 37.481 38.000 0.051 0.000 1.051 242 I HN 0.440 nan 8.210 nan 0.000 0.420 243 N N 0.601 119.354 118.700 0.087 0.000 2.207 243 N HA -0.006 4.734 4.740 -0.000 0.000 0.182 243 N C 0.987 176.573 175.510 0.128 0.000 1.020 243 N CA 1.573 54.715 53.050 0.154 0.000 0.858 243 N CB 0.226 38.849 38.487 0.225 0.000 0.991 243 N HN 0.391 nan 8.380 nan 0.000 0.427 244 G N -0.490 108.278 108.800 -0.054 0.000 2.441 244 G HA2 0.358 4.318 3.960 -0.000 0.000 0.225 244 G HA3 0.358 4.318 3.960 -0.000 0.000 0.225 244 G C -2.094 172.602 174.900 -0.341 0.000 1.200 244 G CA -0.150 44.754 45.100 -0.326 0.000 0.947 244 G HN 0.079 nan 8.290 nan 0.000 0.484 245 V N 0.458 120.064 119.914 -0.513 0.000 2.709 245 V HA 0.758 4.877 4.120 -0.000 0.000 0.308 245 V C 0.046 175.967 176.094 -0.288 0.000 1.062 245 V CA -0.181 61.948 62.300 -0.285 0.000 0.901 245 V CB 1.570 33.298 31.823 -0.159 0.000 1.003 245 V HN 1.669 nan 8.190 nan 0.000 0.425 246 A N 4.169 126.895 122.820 -0.156 0.000 2.273 246 A HA 0.720 5.040 4.320 -0.000 0.000 0.320 246 A C -1.176 176.345 177.584 -0.106 0.000 1.358 246 A CA -0.308 51.667 52.037 -0.102 0.000 0.910 246 A CB 0.149 19.078 19.000 -0.117 0.000 1.159 246 A HN 0.816 nan 8.150 nan 0.000 0.526 247 Y N 1.914 122.132 120.300 -0.137 0.000 2.419 247 Y HA 0.710 5.259 4.550 -0.000 0.000 0.328 247 Y C 0.377 176.214 175.900 -0.105 0.000 1.162 247 Y CA -0.552 57.474 58.100 -0.122 0.000 1.174 247 Y CB 1.384 39.793 38.460 -0.084 0.000 1.228 247 Y HN 0.703 nan 8.280 nan 0.000 0.473 248 R N 4.795 124.959 120.500 -0.561 0.000 2.943 248 R HA 0.081 4.421 4.340 -0.000 0.000 0.276 248 R C -0.165 175.884 176.300 -0.419 0.000 1.076 248 R CA -0.282 55.653 56.100 -0.275 0.000 0.899 248 R CB 0.218 30.408 30.300 -0.184 0.000 1.424 248 R HN 0.861 nan 8.270 nan 0.000 0.344 249 K N 1.318 121.524 120.400 -0.322 0.000 2.152 249 K HA -0.197 4.123 4.320 -0.000 0.000 0.206 249 K C 0.325 176.840 176.600 -0.142 0.000 1.048 249 K CA 2.094 58.246 56.287 -0.225 0.000 0.933 249 K CB 0.335 32.840 32.500 0.007 0.000 0.721 249 K HN 0.472 nan 8.250 nan 0.000 0.447 250 E N -0.672 119.470 120.200 -0.097 0.000 2.106 250 E HA 0.005 4.355 4.350 -0.000 0.000 0.192 250 E C 0.470 177.018 176.600 -0.088 0.000 0.984 250 E CA 1.003 57.362 56.400 -0.068 0.000 0.806 250 E CB 0.173 29.851 29.700 -0.038 0.000 0.750 250 E HN 0.443 nan 8.360 nan 0.000 0.458 251 G N -0.250 108.476 108.800 -0.123 0.000 2.621 251 G HA2 -0.005 3.955 3.960 -0.000 0.000 0.355 251 G HA3 -0.005 3.955 3.960 -0.000 0.000 0.355 251 G C -1.075 173.758 174.900 -0.113 0.000 1.509 251 G CA -1.039 43.986 45.100 -0.124 0.000 1.000 251 G HN 0.049 nan 8.290 nan 0.000 0.646 252 L N 1.679 122.796 121.223 -0.177 0.000 2.410 252 L HA 0.171 4.511 4.340 -0.000 0.000 0.273 252 L C 1.033 177.949 176.870 0.076 0.000 1.144 252 L CA -0.710 54.023 54.840 -0.179 0.000 0.863 252 L CB 0.661 42.358 42.059 -0.605 0.000 1.140 252 L HN 0.612 nan 8.230 nan 0.000 0.463 253 N N 2.677 121.524 118.700 0.244 0.000 2.410 253 N HA -0.003 4.736 4.740 -0.000 0.000 0.281 253 N C 0.906 176.579 175.510 0.272 0.000 1.241 253 N CA -0.163 53.005 53.050 0.197 0.000 0.998 253 N CB 0.834 39.401 38.487 0.133 0.000 1.376 253 N HN 0.463 nan 8.380 nan 0.000 0.490 254 V N 0.683 120.700 119.914 0.172 0.000 2.871 254 V HA 0.008 4.128 4.120 -0.000 0.000 0.256 254 V C 1.747 177.891 176.094 0.083 0.000 1.082 254 V CA 0.978 63.372 62.300 0.156 0.000 1.105 254 V CB -0.380 31.481 31.823 0.063 0.000 0.713 254 V HN 0.442 nan 8.190 nan 0.000 0.473 255 E N 0.939 121.165 120.200 0.043 0.000 2.219 255 E HA -0.173 4.177 4.350 -0.000 0.000 0.198 255 E C 2.052 178.649 176.600 -0.005 0.000 0.998 255 E CA 1.633 58.071 56.400 0.064 0.000 0.818 255 E CB -0.320 29.392 29.700 0.019 0.000 0.741 255 E HN 0.676 nan 8.360 nan 0.000 0.477 256 L N 0.232 121.405 121.223 -0.084 0.000 2.191 256 L HA -0.157 4.183 4.340 -0.000 0.000 0.212 256 L C 2.350 179.075 176.870 -0.241 0.000 1.103 256 L CA 0.548 55.278 54.840 -0.183 0.000 0.769 256 L CB -0.288 41.586 42.059 -0.309 0.000 0.908 256 L HN 0.126 nan 8.230 nan 0.000 0.438 257 I N -0.575 119.841 120.570 -0.257 0.000 2.226 257 I HA -0.325 3.845 4.170 -0.000 0.000 0.245 257 I C 2.677 178.529 176.117 -0.442 0.000 1.100 257 I CA 1.421 62.489 61.300 -0.387 0.000 1.374 257 I CB -0.267 37.468 38.000 -0.442 0.000 1.057 257 I HN 0.386 nan 8.210 nan 0.000 0.413 258 Q N 1.002 120.582 119.800 -0.367 0.000 2.123 258 Q HA -0.187 4.153 4.340 -0.000 0.000 0.199 258 Q C 2.209 178.154 176.000 -0.091 0.000 0.966 258 Q CA 1.080 56.738 55.803 -0.240 0.000 0.845 258 Q CB 0.167 28.786 28.738 -0.199 0.000 0.907 258 Q HN 0.213 nan 8.270 nan 0.000 0.439 259 K N 0.800 121.145 120.400 -0.093 0.000 2.057 259 K HA -0.082 4.238 4.320 -0.000 0.000 0.207 259 K C 0.181 176.740 176.600 -0.068 0.000 1.049 259 K CA 1.174 57.424 56.287 -0.062 0.000 0.931 259 K CB -0.028 32.434 32.500 -0.064 0.000 0.714 259 K HN 0.276 nan 8.250 nan 0.000 0.440 260 N N 1.293 119.928 118.700 -0.110 0.000 2.660 260 N HA 0.012 4.752 4.740 -0.000 0.000 0.316 260 N C -0.705 174.741 175.510 -0.106 0.000 1.774 260 N CA -0.272 52.719 53.050 -0.098 0.000 0.946 260 N CB 0.786 39.204 38.487 -0.115 0.000 1.322 260 N HN 0.083 nan 8.380 nan 0.000 0.492 261 K N -0.644 119.713 120.400 -0.072 0.000 2.187 261 K HA 0.312 4.632 4.320 -0.000 0.000 0.247 261 K C 0.840 177.440 176.600 0.000 0.000 1.019 261 K CA 0.212 56.476 56.287 -0.039 0.000 0.893 261 K CB 0.011 32.590 32.500 0.131 0.000 1.025 261 K HN 0.179 nan 8.250 nan 0.000 0.500 262 G N 0.222 109.041 108.800 0.031 0.000 2.283 262 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.280 262 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.280 262 G C 0.013 174.911 174.900 -0.002 0.000 1.029 262 G CA 0.152 45.269 45.100 0.028 0.000 0.840 262 G HN 0.450 nan 8.290 nan 0.000 0.505 263 L N 0.692 121.899 121.223 -0.026 0.000 3.062 263 L HA 0.331 4.671 4.340 -0.000 0.000 0.255 263 L C 1.388 178.243 176.870 -0.024 0.000 1.274 263 L CA 1.333 56.154 54.840 -0.033 0.000 1.047 263 L CB -1.115 40.907 42.059 -0.062 0.000 1.402 263 L HN 0.576 nan 8.230 nan 0.000 0.550 264 T N -0.892 113.656 114.554 -0.010 0.000 0.541 264 T HA -0.236 4.114 4.350 -0.000 0.000 0.774 264 T C 1.403 176.104 174.700 0.003 0.000 0.992 264 T CA 0.997 63.099 62.100 0.003 0.000 4.077 264 T CB -0.305 68.568 68.868 0.009 0.000 2.303 264 T HN 0.581 nan 8.240 nan 0.000 0.398 265 G N 1.573 110.382 108.800 0.015 0.000 2.456 265 G HA2 0.066 4.026 3.960 -0.000 0.000 0.213 265 G HA3 0.066 4.026 3.960 -0.000 0.000 0.213 265 G C -0.458 174.464 174.900 0.037 0.000 1.215 265 G CA 1.070 46.183 45.100 0.022 0.000 0.805 265 G HN 0.757 nan 8.290 nan 0.000 0.537 266 P HA -0.113 nan 4.420 nan 0.000 0.215 266 P C 2.014 179.360 177.300 0.075 0.000 1.153 266 P CA 2.157 65.300 63.100 0.071 0.000 0.853 266 P CB -0.158 31.581 31.700 0.065 0.000 0.788 267 A N 0.139 122.984 122.820 0.041 0.000 1.933 267 A HA -0.136 4.184 4.320 -0.000 0.000 0.218 267 A C 2.518 180.111 177.584 0.015 0.000 1.175 267 A CA 1.218 53.270 52.037 0.024 0.000 0.628 267 A CB -1.624 17.375 19.000 -0.001 0.000 0.814 267 A HN 0.129 nan 8.150 nan 0.000 0.444 268 L N -0.320 120.904 121.223 0.001 0.000 2.012 268 L HA -0.189 4.150 4.340 -0.000 0.000 0.210 268 L C 2.536 179.442 176.870 0.059 0.000 1.073 268 L CA 1.431 56.248 54.840 -0.038 0.000 0.748 268 L CB -0.405 41.627 42.059 -0.045 0.000 0.891 268 L HN 0.293 nan 8.230 nan 0.000 0.431 269 V N -0.407 119.600 119.914 0.154 0.000 2.469 269 V HA -0.283 3.837 4.120 -0.000 0.000 0.251 269 V C 2.268 178.538 176.094 0.293 0.000 1.064 269 V CA 1.760 64.217 62.300 0.262 0.000 1.066 269 V CB -0.559 31.377 31.823 0.188 0.000 0.667 269 V HN 0.490 nan 8.190 nan 0.000 0.461 270 E N -0.043 120.280 120.200 0.206 0.000 2.046 270 E HA -0.165 4.185 4.350 -0.000 0.000 0.190 270 E C 2.252 178.916 176.600 0.107 0.000 0.982 270 E CA 1.108 57.608 56.400 0.168 0.000 0.800 270 E CB -0.203 29.545 29.700 0.080 0.000 0.756 270 E HN 0.515 nan 8.360 nan 0.000 0.449 271 L N 0.407 121.644 121.223 0.024 0.000 2.081 271 L HA -0.223 4.117 4.340 -0.000 0.000 0.212 271 L C 2.067 178.914 176.870 -0.038 0.000 1.080 271 L CA 1.201 56.002 54.840 -0.065 0.000 0.754 271 L CB -0.129 41.819 42.059 -0.185 0.000 0.893 271 L HN 0.091 nan 8.230 nan 0.000 0.433 272 F N -0.201 119.766 119.950 0.029 0.000 2.365 272 F HA -0.153 4.373 4.527 -0.000 0.000 0.300 272 F C 2.393 178.225 175.800 0.053 0.000 1.090 272 F CA 1.570 59.587 58.000 0.028 0.000 1.408 272 F CB -0.588 38.427 39.000 0.025 0.000 1.060 272 F HN 0.093 nan 8.300 nan 0.000 0.534 273 T N -1.998 112.711 114.554 0.257 0.000 3.031 273 T HA -0.039 4.311 4.350 -0.000 0.000 0.254 273 T C 1.913 176.676 174.700 0.104 0.000 1.060 273 T CA 1.437 63.652 62.100 0.192 0.000 1.135 273 T CB -0.207 68.784 68.868 0.205 0.000 0.896 273 T HN 0.152 nan 8.240 nan 0.000 0.472 274 T N 2.287 116.882 114.554 0.069 0.000 2.671 274 T HA 0.034 4.384 4.350 -0.000 0.000 0.250 274 T C 2.019 176.735 174.700 0.026 0.000 1.068 274 T CA 0.477 62.594 62.100 0.028 0.000 1.177 274 T CB -0.101 68.768 68.868 0.003 0.000 0.876 274 T HN 0.150 nan 8.240 nan 0.000 0.405 275 K N 1.079 121.484 120.400 0.009 0.000 2.057 275 K HA 0.009 4.329 4.320 -0.000 0.000 0.207 275 K C 0.691 177.310 176.600 0.033 0.000 1.049 275 K CA 0.957 57.245 56.287 0.002 0.000 0.931 275 K CB -0.280 32.199 32.500 -0.035 0.000 0.714 275 K HN 0.305 nan 8.250 nan 0.000 0.440 276 D N 0.501 120.946 120.400 0.075 0.000 2.432 276 D HA 0.047 4.687 4.640 -0.000 0.000 0.258 276 D C 0.348 176.712 176.300 0.108 0.000 1.146 276 D CA -0.308 53.764 54.000 0.119 0.000 1.015 276 D CB 0.666 41.617 40.800 0.251 0.000 1.107 276 D HN 0.057 nan 8.370 nan 0.000 0.529 277 N N -0.551 118.206 118.700 0.094 0.000 2.279 277 N HA 0.269 5.009 4.740 -0.000 0.000 0.226 277 N C -0.225 175.339 175.510 0.090 0.000 1.126 277 N CA -0.557 52.540 53.050 0.078 0.000 0.846 277 N CB 0.126 38.647 38.487 0.055 0.000 1.050 277 N HN 0.261 nan 8.380 nan 0.000 0.502 278 A N 0.688 123.574 122.820 0.110 0.000 2.547 278 A HA 0.083 4.402 4.320 -0.000 0.000 0.233 278 A C 0.199 177.864 177.584 0.136 0.000 1.067 278 A CA -0.084 52.009 52.037 0.094 0.000 0.763 278 A CB 0.072 19.112 19.000 0.068 0.000 1.007 278 A HN 0.481 nan 8.150 nan 0.000 0.506 279 E N 0.288 120.578 120.200 0.149 0.000 2.249 279 E HA 0.416 4.766 4.350 -0.000 0.000 0.280 279 E C -1.171 175.541 176.600 0.187 0.000 1.016 279 E CA -0.165 56.331 56.400 0.160 0.000 0.830 279 E CB 1.217 30.999 29.700 0.136 0.000 1.081 279 E HN 0.499 nan 8.360 nan 0.000 0.395 280 F N 2.987 122.966 119.950 0.049 0.000 2.421 280 F HA 0.413 4.940 4.527 -0.000 0.000 0.337 280 F C -0.745 175.072 175.800 0.027 0.000 1.105 280 F CA -0.886 57.140 58.000 0.044 0.000 1.049 280 F CB 1.356 40.381 39.000 0.042 0.000 1.139 280 F HN 0.223 nan 8.300 nan 0.000 0.479 281 V N 6.881 126.610 119.914 -0.309 0.000 2.482 281 V HA 0.385 4.505 4.120 -0.000 0.000 0.295 281 V C -0.910 175.031 176.094 -0.255 0.000 1.026 281 V CA -0.832 61.393 62.300 -0.126 0.000 0.856 281 V CB 1.426 33.178 31.823 -0.117 0.000 1.001 281 V HN 0.768 nan 8.190 nan 0.000 0.424 282 K N 5.896 126.351 120.400 0.091 0.000 2.081 282 K HA 0.312 4.632 4.320 -0.000 0.000 0.230 282 K C -0.116 176.508 176.600 0.040 0.000 1.199 282 K CA 0.357 56.738 56.287 0.157 0.000 1.130 282 K CB -0.287 32.372 32.500 0.264 0.000 1.386 282 K HN 0.739 nan 8.250 nan 0.000 0.280 283 N N 1.743 120.423 118.700 -0.034 0.000 5.024 283 N HA -0.010 4.730 4.740 -0.000 0.000 0.160 283 N C -2.650 172.848 175.510 -0.020 0.000 1.071 283 N CA -0.793 52.253 53.050 -0.007 0.000 1.071 283 N CB 1.108 39.596 38.487 0.003 0.000 1.562 283 N HN 0.045 nan 8.380 nan 0.000 0.985 284 P HA 0.097 nan 4.420 nan 0.000 0.253 284 P C -0.380 176.986 177.300 0.111 0.000 1.281 284 P CA 0.623 63.743 63.100 0.034 0.000 0.792 284 P CB 0.270 31.999 31.700 0.048 0.000 1.193 285 D N -0.570 119.905 120.400 0.125 0.000 2.398 285 D HA 0.147 4.787 4.640 -0.000 0.000 0.210 285 D C 1.820 178.254 176.300 0.222 0.000 1.094 285 D CA 0.088 54.241 54.000 0.256 0.000 0.839 285 D CB 0.374 41.257 40.800 0.138 0.000 0.963 285 D HN 0.085 nan 8.370 nan 0.000 0.506 286 A N 2.079 124.951 122.820 0.086 0.000 1.902 286 A HA -0.153 4.167 4.320 -0.000 0.000 0.217 286 A C 2.189 179.781 177.584 0.014 0.000 1.181 286 A CA 0.862 52.919 52.037 0.033 0.000 0.623 286 A CB -0.592 18.397 19.000 -0.019 0.000 0.818 286 A HN 0.294 nan 8.150 nan 0.000 0.443 287 I N -2.461 118.091 120.570 -0.030 0.000 2.236 287 I HA -0.261 3.909 4.170 -0.000 0.000 0.249 287 I C 2.094 178.032 176.117 -0.299 0.000 1.102 287 I CA 1.795 63.021 61.300 -0.123 0.000 1.365 287 I CB -2.033 35.902 38.000 -0.107 0.000 1.051 287 I HN 0.212 nan 8.210 nan 0.000 0.420 288 F N 2.079 121.887 119.950 -0.235 0.000 2.095 288 F HA -0.142 4.385 4.527 -0.000 0.000 0.298 288 F C 2.528 178.172 175.800 -0.261 0.000 1.104 288 F CA 1.766 59.547 58.000 -0.365 0.000 1.232 288 F CB -0.584 38.285 39.000 -0.219 0.000 0.987 288 F HN 0.040 nan 8.300 nan 0.000 0.475 289 K N 0.046 120.473 120.400 0.044 0.000 2.439 289 K HA -0.013 4.307 4.320 -0.000 0.000 0.197 289 K C 0.397 176.981 176.600 -0.026 0.000 1.041 289 K CA 0.278 56.566 56.287 0.001 0.000 0.970 289 K CB -0.559 31.943 32.500 0.004 0.000 0.773 289 K HN 0.155 nan 8.250 nan 0.000 0.479 290 L N 2.119 123.318 121.223 -0.040 0.000 2.456 290 L HA -0.014 4.326 4.340 -0.000 0.000 0.272 290 L C 0.708 177.568 176.870 -0.016 0.000 1.189 290 L CA 0.525 55.360 54.840 -0.007 0.000 0.846 290 L CB 0.299 42.375 42.059 0.028 0.000 1.111 290 L HN 0.004 nan 8.230 nan 0.000 0.475 291 D N 3.214 123.620 120.400 0.010 0.000 2.563 291 D HA 0.221 4.860 4.640 -0.000 0.000 0.222 291 D C -0.451 175.850 176.300 0.003 0.000 1.145 291 D CA -0.087 53.914 54.000 0.001 0.000 1.001 291 D CB 0.362 41.162 40.800 -0.000 0.000 1.049 291 D HN 0.274 nan 8.370 nan 0.000 0.515 292 V N 0.060 119.976 119.914 0.003 0.000 3.267 292 V HA 0.467 4.586 4.120 -0.000 0.000 0.317 292 V C 0.866 176.962 176.094 0.004 0.000 1.131 292 V CA -0.497 61.804 62.300 0.002 0.000 1.031 292 V CB 1.958 33.797 31.823 0.027 0.000 1.159 292 V HN 0.023 nan 8.190 nan 0.000 0.454 293 D N 0.057 120.448 120.400 -0.015 0.000 2.216 293 D HA 0.272 4.912 4.640 -0.000 0.000 0.208 293 D C 0.430 176.843 176.300 0.188 0.000 0.960 293 D CA 1.475 55.457 54.000 -0.030 0.000 0.861 293 D CB 0.520 41.166 40.800 -0.256 0.000 0.985 293 D HN 0.531 nan 8.370 nan 0.000 0.493 294 I N 0.945 121.626 120.570 0.184 0.000 2.439 294 I HA 0.204 4.373 4.170 -0.000 0.000 0.285 294 I C -1.022 175.210 176.117 0.192 0.000 1.021 294 I CA -0.930 60.502 61.300 0.221 0.000 1.091 294 I CB 2.015 40.138 38.000 0.206 0.000 1.242 294 I HN -0.252 nan 8.210 nan 0.000 0.439 295 F N 7.873 127.837 119.950 0.022 0.000 2.450 295 F HA 0.717 5.244 4.527 -0.000 0.000 0.332 295 F C -0.778 175.003 175.800 -0.031 0.000 1.093 295 F CA -0.885 57.098 58.000 -0.029 0.000 1.003 295 F CB 1.514 40.486 39.000 -0.045 0.000 1.151 295 F HN 0.056 nan 8.300 nan 0.000 0.474 296 V N 7.472 126.855 119.914 -0.886 0.000 2.445 296 V HA 0.317 4.437 4.120 -0.000 0.000 0.283 296 V C -2.428 173.144 176.094 -0.870 0.000 1.014 296 V CA -1.415 60.471 62.300 -0.690 0.000 0.852 296 V CB 1.421 33.069 31.823 -0.291 0.000 1.021 296 V HN 0.618 nan 8.190 nan 0.000 0.435 297 P HA 0.336 nan 4.420 nan 0.000 0.280 297 P C -0.005 177.163 177.300 -0.219 0.000 1.300 297 P CA -0.092 62.714 63.100 -0.491 0.000 0.785 297 P CB 1.735 33.281 31.700 -0.258 0.000 0.874 298 A N 3.000 125.730 122.820 -0.149 0.000 2.610 298 A HA 0.552 4.872 4.320 -0.000 0.000 0.291 298 A C 1.280 178.853 177.584 -0.018 0.000 1.116 298 A CA 0.330 52.329 52.037 -0.063 0.000 0.963 298 A CB 0.043 19.015 19.000 -0.047 0.000 1.220 298 A HN 0.465 nan 8.150 nan 0.000 0.530 299 A N 0.553 123.367 122.820 -0.010 0.000 2.134 299 A HA 0.711 5.031 4.320 -0.000 0.000 0.223 299 A C 0.763 178.360 177.584 0.022 0.000 1.738 299 A CA 1.103 53.150 52.037 0.016 0.000 0.722 299 A CB -0.174 18.844 19.000 0.031 0.000 1.346 299 A HN 0.912 nan 8.150 nan 0.000 0.557 300 I N -3.060 117.529 120.570 0.032 0.000 3.354 300 I HA 0.646 4.816 4.170 -0.000 0.000 0.316 300 I C -1.363 174.772 176.117 0.030 0.000 1.182 300 I CA -1.314 60.000 61.300 0.024 0.000 0.942 300 I CB 1.443 39.456 38.000 0.022 0.000 1.299 300 I HN 0.177 nan 8.210 nan 0.000 0.473 301 E N 0.146 120.350 120.200 0.006 0.000 2.345 301 E HA 0.333 4.682 4.350 -0.000 0.000 0.259 301 E C -0.754 175.856 176.600 0.017 0.000 1.117 301 E CA -0.593 55.809 56.400 0.002 0.000 0.913 301 E CB 0.047 29.720 29.700 -0.045 0.000 1.057 301 E HN 0.710 nan 8.360 nan 0.000 0.432 302 N N -0.837 117.876 118.700 0.022 0.000 2.738 302 N HA -0.195 4.545 4.740 -0.000 0.000 0.249 302 N C -0.094 175.453 175.510 0.062 0.000 1.047 302 N CA 0.221 53.287 53.050 0.026 0.000 0.707 302 N CB -0.690 37.791 38.487 -0.009 0.000 0.937 302 N HN 0.239 nan 8.380 nan 0.000 0.545 303 V N -0.090 119.900 119.914 0.127 0.000 2.949 303 V HA 0.144 4.264 4.120 -0.000 0.000 0.245 303 V C 0.808 177.045 176.094 0.239 0.000 1.086 303 V CA 1.012 63.453 62.300 0.234 0.000 1.097 303 V CB 0.344 32.375 31.823 0.347 0.000 0.762 303 V HN 0.298 nan 8.190 nan 0.000 0.470 304 I N 1.539 122.238 120.570 0.215 0.000 2.479 304 I HA 0.325 4.495 4.170 -0.000 0.000 0.279 304 I C 0.343 176.502 176.117 0.071 0.000 1.102 304 I CA -0.170 61.232 61.300 0.170 0.000 1.196 304 I CB 0.502 38.664 38.000 0.270 0.000 1.427 304 I HN 0.161 nan 8.210 nan 0.000 0.503 305 R N 2.027 122.527 120.500 -0.001 0.000 2.517 305 R HA 0.378 4.718 4.340 -0.000 0.000 0.250 305 R C 1.522 177.819 176.300 -0.004 0.000 1.213 305 R CA -0.276 55.824 56.100 -0.001 0.000 1.146 305 R CB 0.372 30.657 30.300 -0.025 0.000 1.279 305 R HN 0.540 nan 8.270 nan 0.000 0.597 306 G N 0.231 109.034 108.800 0.006 0.000 2.848 306 G HA2 -0.159 3.801 3.960 -0.000 0.000 0.208 306 G HA3 -0.159 3.801 3.960 -0.000 0.000 0.208 306 G C 0.369 175.263 174.900 -0.009 0.000 1.152 306 G CA 0.391 45.497 45.100 0.010 0.000 0.789 306 G HN 0.745 nan 8.290 nan 0.000 0.531 307 D N -0.043 120.338 120.400 -0.033 0.000 2.398 307 D HA -0.032 4.608 4.640 -0.000 0.000 0.210 307 D C 1.126 177.381 176.300 -0.074 0.000 1.094 307 D CA 0.109 54.081 54.000 -0.046 0.000 0.839 307 D CB -0.266 40.503 40.800 -0.050 0.000 0.963 307 D HN 0.397 nan 8.370 nan 0.000 0.506 308 N N -0.039 118.603 118.700 -0.096 0.000 2.116 308 N HA 0.162 4.902 4.740 -0.000 0.000 0.230 308 N C 1.246 176.699 175.510 -0.094 0.000 1.326 308 N CA 0.231 53.196 53.050 -0.142 0.000 0.867 308 N CB 0.144 38.452 38.487 -0.299 0.000 1.174 308 N HN 0.076 nan 8.380 nan 0.000 0.506 309 A N 1.226 124.024 122.820 -0.037 0.000 1.908 309 A HA 0.068 4.387 4.320 -0.000 0.000 0.218 309 A C 2.243 179.834 177.584 0.010 0.000 1.181 309 A CA 2.039 54.082 52.037 0.009 0.000 0.627 309 A CB -1.395 17.623 19.000 0.030 0.000 0.818 309 A HN 0.380 nan 8.150 nan 0.000 0.445 310 G N -0.183 108.617 108.800 0.000 0.000 2.442 310 G HA2 -0.191 3.769 3.960 -0.000 0.000 0.219 310 G HA3 -0.191 3.769 3.960 -0.000 0.000 0.219 310 G C 1.483 176.381 174.900 -0.002 0.000 1.141 310 G CA 1.014 46.116 45.100 0.004 0.000 0.763 310 G HN 0.454 nan 8.290 nan 0.000 0.554 311 L N 0.641 121.853 121.223 -0.018 0.000 2.261 311 L HA -0.013 4.327 4.340 -0.000 0.000 0.216 311 L C 0.914 177.781 176.870 -0.006 0.000 1.114 311 L CA -0.214 54.615 54.840 -0.018 0.000 0.777 311 L CB -0.375 41.659 42.059 -0.041 0.000 0.910 311 L HN -0.030 nan 8.230 nan 0.000 0.440 312 V N 1.018 120.935 119.914 0.004 0.000 2.485 312 V HA -0.078 4.042 4.120 -0.000 0.000 0.287 312 V C 1.124 177.210 176.094 -0.013 0.000 1.022 312 V CA 0.551 62.843 62.300 -0.013 0.000 1.067 312 V CB 0.869 32.705 31.823 0.021 0.000 0.967 312 V HN 0.315 nan 8.190 nan 0.000 0.479 313 K N 3.419 123.798 120.400 -0.034 0.000 2.335 313 K HA 0.312 4.632 4.320 -0.000 0.000 0.195 313 K C 0.975 177.584 176.600 0.016 0.000 1.058 313 K CA 0.420 56.702 56.287 -0.008 0.000 0.988 313 K CB 0.435 32.925 32.500 -0.017 0.000 0.880 313 K HN 0.734 nan 8.250 nan 0.000 0.513 314 A N 2.209 125.043 122.820 0.022 0.000 2.540 314 A HA -0.011 4.309 4.320 -0.000 0.000 0.239 314 A C 0.901 178.557 177.584 0.119 0.000 1.061 314 A CA -0.072 52.019 52.037 0.089 0.000 0.758 314 A CB 0.326 19.423 19.000 0.161 0.000 0.991 314 A HN 0.167 nan 8.150 nan 0.000 0.502 315 R N 1.127 121.728 120.500 0.168 0.000 2.153 315 R HA 0.047 4.387 4.340 -0.000 0.000 0.218 315 R C 0.010 176.452 176.300 0.236 0.000 1.072 315 R CA 0.472 56.701 56.100 0.215 0.000 0.990 315 R CB -1.020 29.462 30.300 0.303 0.000 0.889 315 R HN 0.553 nan 8.270 nan 0.000 0.452 316 L N 0.520 121.907 121.223 0.273 0.000 2.362 316 L HA 0.448 4.787 4.340 -0.000 0.000 0.275 316 L C -1.179 175.766 176.870 0.126 0.000 0.998 316 L CA -0.953 53.985 54.840 0.164 0.000 0.820 316 L CB 2.468 44.614 42.059 0.146 0.000 1.270 316 L HN -0.260 nan 8.230 nan 0.000 0.415 317 V N 5.615 125.558 119.914 0.049 0.000 2.448 317 V HA 0.586 4.706 4.120 -0.000 0.000 0.295 317 V C -0.654 175.429 176.094 -0.018 0.000 1.025 317 V CA -0.646 61.689 62.300 0.058 0.000 0.859 317 V CB 1.911 33.787 31.823 0.088 0.000 0.988 317 V HN 0.528 nan 8.190 nan 0.000 0.431 318 V N 4.352 124.235 119.914 -0.052 0.000 2.378 318 V HA 0.378 4.497 4.120 -0.000 0.000 0.288 318 V C 0.026 176.062 176.094 -0.096 0.000 1.016 318 V CA -0.765 61.493 62.300 -0.071 0.000 0.840 318 V CB 1.630 33.412 31.823 -0.068 0.000 0.994 318 V HN 0.907 nan 8.190 nan 0.000 0.431 319 E N 3.337 123.502 120.200 -0.058 0.000 2.180 319 E HA 0.312 4.662 4.350 -0.000 0.000 0.283 319 E C 0.943 177.520 176.600 -0.039 0.000 1.061 319 E CA 0.120 56.490 56.400 -0.050 0.000 0.861 319 E CB 1.455 31.154 29.700 -0.002 0.000 1.056 319 E HN 0.859 nan 8.360 nan 0.000 0.407 320 G N 2.548 111.312 108.800 -0.059 0.000 2.833 320 G HA2 0.217 4.177 3.960 -0.000 0.000 0.210 320 G HA3 0.217 4.177 3.960 -0.000 0.000 0.210 320 G C 0.494 175.392 174.900 -0.003 0.000 1.139 320 G CA 0.322 45.408 45.100 -0.023 0.000 0.771 320 G HN 0.547 nan 8.290 nan 0.000 0.535 321 A N 0.101 122.913 122.820 -0.014 0.000 2.263 321 A HA 0.664 4.984 4.320 -0.000 0.000 0.318 321 A C -0.427 177.164 177.584 0.013 0.000 1.111 321 A CA -0.745 51.294 52.037 0.003 0.000 0.901 321 A CB 0.653 19.652 19.000 -0.002 0.000 1.280 321 A HN 0.072 nan 8.150 nan 0.000 0.503 322 N N 0.491 119.199 118.700 0.013 0.000 2.420 322 N HA 0.400 5.140 4.740 -0.000 0.000 0.249 322 N C 0.502 176.021 175.510 0.014 0.000 1.033 322 N CA 1.247 54.307 53.050 0.017 0.000 0.944 322 N CB 0.896 39.388 38.487 0.008 0.000 1.113 322 N HN 1.295 nan 8.380 nan 0.000 0.502 323 G N 4.101 112.922 108.800 0.035 0.000 2.333 323 G HA2 -0.176 3.784 3.960 -0.000 0.000 0.296 323 G HA3 -0.176 3.784 3.960 -0.000 0.000 0.296 323 G C -1.368 173.557 174.900 0.041 0.000 1.059 323 G CA -0.332 44.793 45.100 0.042 0.000 1.050 323 G HN 0.473 nan 8.290 nan 0.000 0.508 324 P HA 0.045 nan 4.420 nan 0.000 0.226 324 P C 0.626 177.994 177.300 0.114 0.000 1.161 324 P CA 0.869 64.016 63.100 0.079 0.000 0.804 324 P CB 0.440 32.180 31.700 0.066 0.000 0.829 325 T N 0.934 115.554 114.554 0.110 0.000 2.744 325 T HA 0.265 4.615 4.350 -0.000 0.000 0.291 325 T C 0.210 174.977 174.700 0.112 0.000 0.957 325 T CA 0.007 62.182 62.100 0.124 0.000 1.002 325 T CB 0.837 69.781 68.868 0.127 0.000 0.919 325 T HN -0.134 nan 8.240 nan 0.000 0.468 326 T N 5.074 119.686 114.554 0.098 0.000 2.898 326 T HA 0.146 4.496 4.350 -0.000 0.000 0.301 326 T C -1.235 173.536 174.700 0.119 0.000 1.049 326 T CA -1.419 60.734 62.100 0.087 0.000 1.095 326 T CB 0.803 69.705 68.868 0.057 0.000 0.976 326 T HN 0.294 nan 8.240 nan 0.000 0.539 327 P HA -0.122 nan 4.420 nan 0.000 0.213 327 P C 1.278 178.657 177.300 0.131 0.000 1.170 327 P CA 1.377 64.574 63.100 0.162 0.000 0.902 327 P CB 0.126 31.941 31.700 0.191 0.000 0.789 328 E N -0.395 119.868 120.200 0.104 0.000 2.097 328 E HA -0.200 4.150 4.350 -0.000 0.000 0.196 328 E C 2.078 178.732 176.600 0.089 0.000 1.000 328 E CA 1.420 57.872 56.400 0.086 0.000 0.804 328 E CB -0.724 29.014 29.700 0.063 0.000 0.740 328 E HN 0.192 nan 8.360 nan 0.000 0.454 329 A N 1.409 124.282 122.820 0.088 0.000 1.930 329 A HA -0.192 4.128 4.320 -0.000 0.000 0.217 329 A C 2.083 179.737 177.584 0.115 0.000 1.175 329 A CA 1.009 53.098 52.037 0.087 0.000 0.627 329 A CB -0.237 18.810 19.000 0.077 0.000 0.815 329 A HN 0.084 nan 8.150 nan 0.000 0.443 330 E N -0.421 119.867 120.200 0.147 0.000 2.118 330 E HA -0.224 4.126 4.350 -0.000 0.000 0.195 330 E C 2.267 179.038 176.600 0.285 0.000 0.992 330 E CA 1.226 57.751 56.400 0.207 0.000 0.804 330 E CB -0.107 29.732 29.700 0.231 0.000 0.741 330 E HN 0.419 nan 8.360 nan 0.000 0.458 331 R N 0.977 121.601 120.500 0.207 0.000 2.062 331 R HA -0.051 4.289 4.340 -0.000 0.000 0.231 331 R C 2.298 178.712 176.300 0.191 0.000 1.136 331 R CA 1.192 57.407 56.100 0.192 0.000 0.948 331 R CB -0.748 29.626 30.300 0.124 0.000 0.845 331 R HN 0.154 nan 8.270 nan 0.000 0.430 332 I N 0.094 120.747 120.570 0.139 0.000 2.113 332 I HA -0.285 3.885 4.170 -0.000 0.000 0.238 332 I C 2.255 178.442 176.117 0.117 0.000 1.070 332 I CA 1.251 62.618 61.300 0.111 0.000 1.332 332 I CB -0.370 37.676 38.000 0.077 0.000 1.044 332 I HN 0.158 nan 8.210 nan 0.000 0.402 333 L N -0.532 120.750 121.223 0.098 0.000 2.270 333 L HA -0.288 4.051 4.340 -0.000 0.000 0.217 333 L C 2.398 179.282 176.870 0.023 0.000 1.107 333 L CA 1.549 56.414 54.840 0.043 0.000 0.772 333 L CB -0.335 41.726 42.059 0.005 0.000 0.902 333 L HN 0.285 nan 8.230 nan 0.000 0.439 334 Y N -0.055 120.305 120.300 0.101 0.000 2.397 334 Y HA -0.134 4.416 4.550 -0.000 0.000 0.292 334 Y C 2.177 178.141 175.900 0.106 0.000 1.115 334 Y CA 0.873 59.043 58.100 0.116 0.000 1.208 334 Y CB 0.096 38.632 38.460 0.126 0.000 1.046 334 Y HN 0.333 nan 8.280 nan 0.000 0.552 335 E N 0.093 120.441 120.200 0.247 0.000 2.321 335 E HA 0.048 4.398 4.350 -0.000 0.000 0.189 335 E C 0.607 177.284 176.600 0.128 0.000 1.125 335 E CA 0.104 56.605 56.400 0.169 0.000 1.005 335 E CB -0.103 29.672 29.700 0.124 0.000 1.140 335 E HN 0.321 nan 8.360 nan 0.000 0.457 336 R N -0.467 120.110 120.500 0.128 0.000 2.549 336 R HA 0.179 4.519 4.340 -0.000 0.000 0.361 336 R C 0.772 177.132 176.300 0.100 0.000 0.969 336 R CA 0.288 56.444 56.100 0.094 0.000 1.158 336 R CB 1.393 31.735 30.300 0.070 0.000 1.456 336 R HN 0.357 nan 8.270 nan 0.000 0.540 337 G N 1.267 110.148 108.800 0.136 0.000 2.176 337 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.253 337 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.253 337 G C 0.208 175.188 174.900 0.133 0.000 0.979 337 G CA 0.189 45.380 45.100 0.151 0.000 0.641 337 G HN 0.112 nan 8.290 nan 0.000 0.530 338 V N 2.167 122.116 119.914 0.059 0.000 2.408 338 V HA 0.501 4.621 4.120 -0.000 0.000 0.267 338 V C 1.073 177.033 176.094 -0.223 0.000 1.047 338 V CA -0.271 62.018 62.300 -0.019 0.000 0.937 338 V CB 1.276 33.079 31.823 -0.032 0.000 0.999 338 V HN 1.003 nan 8.190 nan 0.000 0.472 339 V N 4.116 123.954 119.914 -0.128 0.000 2.432 339 V HA 0.620 4.740 4.120 -0.000 0.000 0.275 339 V C -0.137 175.785 176.094 -0.286 0.000 1.043 339 V CA -0.483 61.674 62.300 -0.239 0.000 0.925 339 V CB 1.350 33.200 31.823 0.044 0.000 0.985 339 V HN 0.482 nan 8.190 nan 0.000 0.466 340 V N 5.647 125.314 119.914 -0.412 0.000 2.328 340 V HA 0.292 4.412 4.120 -0.000 0.000 0.278 340 V C 0.302 176.352 176.094 -0.075 0.000 1.021 340 V CA -0.572 61.624 62.300 -0.173 0.000 0.838 340 V CB 1.241 32.990 31.823 -0.124 0.000 0.999 340 V HN 0.788 nan 8.190 nan 0.000 0.447 341 V N 8.296 128.157 119.914 -0.089 0.000 2.446 341 V HA 0.156 4.276 4.120 -0.000 0.000 0.276 341 V C -1.957 174.117 176.094 -0.034 0.000 1.030 341 V CA -1.365 60.880 62.300 -0.093 0.000 1.033 341 V CB 0.687 32.450 31.823 -0.099 0.000 0.993 341 V HN 0.726 nan 8.190 nan 0.000 0.477 342 P HA 0.010 nan 4.420 nan 0.000 0.265 342 P C 0.371 177.692 177.300 0.034 0.000 1.187 342 P CA -0.029 63.092 63.100 0.036 0.000 0.766 342 P CB 0.496 32.222 31.700 0.044 0.000 0.820 343 D N 3.593 124.026 120.400 0.055 0.000 2.144 343 D HA -0.186 4.454 4.640 -0.000 0.000 0.199 343 D C 1.502 177.834 176.300 0.054 0.000 0.984 343 D CA 1.392 55.420 54.000 0.047 0.000 0.834 343 D CB -1.077 39.755 40.800 0.054 0.000 0.955 343 D HN 0.501 nan 8.370 nan 0.000 0.465 344 I N -1.897 118.718 120.570 0.075 0.000 2.567 344 I HA -0.113 4.057 4.170 -0.000 0.000 0.257 344 I C 2.091 178.240 176.117 0.054 0.000 1.184 344 I CA 0.812 62.158 61.300 0.075 0.000 1.451 344 I CB -0.312 37.749 38.000 0.102 0.000 1.089 344 I HN -0.012 nan 8.210 nan 0.000 0.441 345 L N 1.151 122.399 121.223 0.040 0.000 2.362 345 L HA 0.404 4.744 4.340 -0.000 0.000 0.204 345 L C 2.460 179.342 176.870 0.019 0.000 1.060 345 L CA 1.552 56.408 54.840 0.027 0.000 0.827 345 L CB -0.479 41.588 42.059 0.013 0.000 1.027 345 L HN 0.108 nan 8.230 nan 0.000 0.474 346 A N 0.750 123.578 122.820 0.013 0.000 1.874 346 A HA -0.132 4.188 4.320 -0.000 0.000 0.214 346 A C 1.644 179.243 177.584 0.025 0.000 1.189 346 A CA 1.385 53.426 52.037 0.006 0.000 0.615 346 A CB -0.936 18.058 19.000 -0.010 0.000 0.830 346 A HN 0.689 nan 8.150 nan 0.000 0.443 347 N N 0.062 118.782 118.700 0.034 0.000 2.313 347 N HA 0.323 5.063 4.740 -0.000 0.000 0.207 347 N C 0.762 176.306 175.510 0.056 0.000 1.141 347 N CA 0.782 53.861 53.050 0.048 0.000 0.830 347 N CB -0.192 38.322 38.487 0.045 0.000 1.008 347 N HN 0.267 nan 8.380 nan 0.000 0.481 348 A N -0.252 122.600 122.820 0.054 0.000 2.239 348 A HA 0.261 4.581 4.320 -0.000 0.000 0.209 348 A C 2.064 179.692 177.584 0.073 0.000 1.171 348 A CA 0.520 52.593 52.037 0.059 0.000 0.768 348 A CB -1.057 17.975 19.000 0.052 0.000 0.790 348 A HN 0.422 nan 8.150 nan 0.000 0.478 349 G N 0.016 108.865 108.800 0.082 0.000 2.462 349 G HA2 -0.038 3.922 3.960 -0.000 0.000 0.220 349 G HA3 -0.038 3.922 3.960 -0.000 0.000 0.220 349 G C 1.396 176.354 174.900 0.097 0.000 1.121 349 G CA 1.135 46.298 45.100 0.106 0.000 0.758 349 G HN 0.603 nan 8.290 nan 0.000 0.559 350 G N 0.385 109.233 108.800 0.080 0.000 2.394 350 G HA2 -0.094 3.866 3.960 -0.000 0.000 0.214 350 G HA3 -0.094 3.866 3.960 -0.000 0.000 0.214 350 G C 1.759 176.702 174.900 0.072 0.000 1.176 350 G CA 1.141 46.278 45.100 0.063 0.000 0.786 350 G HN 0.303 nan 8.290 nan 0.000 0.533 351 V N 1.433 121.394 119.914 0.079 0.000 2.343 351 V HA -0.143 3.977 4.120 -0.000 0.000 0.247 351 V C 2.788 178.988 176.094 0.176 0.000 1.051 351 V CA 1.426 63.788 62.300 0.104 0.000 1.036 351 V CB -0.453 31.423 31.823 0.088 0.000 0.654 351 V HN 0.383 nan 8.190 nan 0.000 0.451 352 I N -0.530 120.131 120.570 0.151 0.000 2.264 352 I HA -0.313 3.857 4.170 -0.000 0.000 0.248 352 I C 2.480 178.743 176.117 0.243 0.000 1.111 352 I CA 1.915 63.328 61.300 0.189 0.000 1.382 352 I CB -0.376 37.705 38.000 0.135 0.000 1.060 352 I HN 0.353 nan 8.210 nan 0.000 0.418 353 M N 0.997 120.692 119.600 0.159 0.000 2.229 353 M HA -0.143 4.337 4.480 -0.000 0.000 0.264 353 M C 2.457 178.837 176.300 0.133 0.000 1.063 353 M CA 1.960 57.328 55.300 0.114 0.000 1.114 353 M CB -0.486 32.132 32.600 0.030 0.000 1.387 353 M HN 0.289 nan 8.290 nan 0.000 0.420 354 S N -0.973 114.825 115.700 0.163 0.000 2.406 354 S HA -0.171 4.298 4.470 -0.000 0.000 0.228 354 S C 2.019 176.808 174.600 0.316 0.000 1.020 354 S CA 0.913 59.213 58.200 0.166 0.000 0.965 354 S CB -1.223 62.042 63.200 0.110 0.000 0.798 354 S HN 0.660 nan 8.310 nan 0.000 0.488 355 Y N 2.415 122.887 120.300 0.286 0.000 2.263 355 Y HA 0.148 4.698 4.550 -0.000 0.000 0.292 355 Y C 1.820 177.903 175.900 0.306 0.000 1.130 355 Y CA 1.036 59.346 58.100 0.350 0.000 1.179 355 Y CB -0.374 38.182 38.460 0.159 0.000 0.998 355 Y HN 0.211 nan 8.280 nan 0.000 0.532 356 L N 0.269 121.572 121.223 0.133 0.000 2.027 356 L HA -0.164 4.176 4.340 -0.000 0.000 0.206 356 L C 2.588 179.388 176.870 -0.117 0.000 1.074 356 L CA 1.872 56.727 54.840 0.025 0.000 0.745 356 L CB -0.806 41.395 42.059 0.236 0.000 0.898 356 L HN 0.272 nan 8.230 nan 0.000 0.433 357 E N 0.021 120.204 120.200 -0.029 0.000 2.070 357 E HA -0.316 4.034 4.350 -0.000 0.000 0.197 357 E C 2.124 178.672 176.600 -0.086 0.000 1.004 357 E CA 1.939 58.286 56.400 -0.088 0.000 0.805 357 E CB -0.316 29.378 29.700 -0.011 0.000 0.744 357 E HN 0.462 nan 8.360 nan 0.000 0.451 358 W N 1.024 122.223 121.300 -0.168 0.000 2.335 358 W HA -0.215 4.445 4.660 -0.000 0.000 0.311 358 W C 2.100 178.462 176.519 -0.262 0.000 1.213 358 W CA 1.774 59.025 57.345 -0.157 0.000 1.274 358 W CB -0.680 28.781 29.460 0.001 0.000 1.148 358 W HN -0.044 nan 8.180 nan 0.000 0.498 359 V N 0.890 120.558 119.914 -0.411 0.000 2.594 359 V HA -0.288 3.832 4.120 -0.000 0.000 0.253 359 V C 2.087 177.836 176.094 -0.575 0.000 1.069 359 V CA 2.341 64.268 62.300 -0.621 0.000 1.082 359 V CB -0.791 30.735 31.823 -0.494 0.000 0.680 359 V HN 0.230 nan 8.190 nan 0.000 0.469 360 E N 0.016 119.829 120.200 -0.644 0.000 2.046 360 E HA -0.140 4.209 4.350 -0.000 0.000 0.190 360 E C 2.155 178.450 176.600 -0.509 0.000 0.982 360 E CA 1.027 56.996 56.400 -0.719 0.000 0.800 360 E CB -0.164 29.022 29.700 -0.857 0.000 0.756 360 E HN 0.589 nan 8.360 nan 0.000 0.449 361 N N 1.031 119.438 118.700 -0.489 0.000 2.104 361 N HA -0.168 4.572 4.740 -0.000 0.000 0.190 361 N C 1.948 177.062 175.510 -0.660 0.000 1.024 361 N CA 0.966 53.663 53.050 -0.588 0.000 0.853 361 N CB -0.264 37.944 38.487 -0.467 0.000 1.008 361 N HN 0.189 nan 8.380 nan 0.000 0.424 362 L N 1.096 121.972 121.223 -0.579 0.000 2.187 362 L HA -0.173 4.167 4.340 -0.000 0.000 0.213 362 L C 1.924 178.641 176.870 -0.255 0.000 1.100 362 L CA 1.109 55.671 54.840 -0.464 0.000 0.765 362 L CB -0.357 41.355 42.059 -0.580 0.000 0.904 362 L HN 0.372 nan 8.230 nan 0.000 0.437 363 Q N -2.632 117.035 119.800 -0.221 0.000 2.194 363 Q HA -0.031 4.309 4.340 -0.000 0.000 0.214 363 Q C -0.081 176.006 176.000 0.145 0.000 0.838 363 Q CA -0.481 55.310 55.803 -0.021 0.000 0.972 363 Q CB -0.053 28.667 28.738 -0.029 0.000 1.131 363 Q HN 0.278 nan 8.270 nan 0.000 0.498 364 W N 0.301 121.520 121.300 -0.135 0.000 5.692 364 W HA -0.280 4.380 4.660 -0.000 0.000 0.371 364 W C -0.681 175.830 176.519 -0.014 0.000 1.354 364 W CA 0.744 58.020 57.345 -0.115 0.000 0.955 364 W CB -2.065 27.332 29.460 -0.105 0.000 2.465 364 W HN 0.476 nan 8.180 nan 0.000 1.554 365 Y N 0.628 120.890 120.300 -0.063 0.000 2.338 365 Y HA 0.600 5.150 4.550 -0.000 0.000 0.333 365 Y C 0.118 175.857 175.900 -0.269 0.000 0.968 365 Y CA -2.068 55.982 58.100 -0.082 0.000 1.123 365 Y CB 0.611 39.049 38.460 -0.038 0.000 1.165 365 Y HN -0.084 nan 8.280 nan 0.000 0.452 366 I N 6.294 126.481 120.570 -0.639 0.000 2.353 366 I HA 0.149 4.319 4.170 -0.000 0.000 0.293 366 I C -0.617 175.181 176.117 -0.532 0.000 0.992 366 I CA -0.651 60.319 61.300 -0.550 0.000 1.268 366 I CB 0.681 38.507 38.000 -0.291 0.000 1.387 366 I HN 0.502 nan 8.210 nan 0.000 0.478 367 W N 4.685 125.856 121.300 -0.214 0.000 2.283 367 W HA 0.205 4.865 4.660 -0.000 0.000 0.341 367 W C 0.349 176.804 176.519 -0.106 0.000 1.206 367 W CA -0.836 56.432 57.345 -0.127 0.000 1.294 367 W CB 0.225 29.669 29.460 -0.026 0.000 1.154 367 W HN 0.502 nan 8.180 nan 0.000 0.613 368 D N 0.147 120.653 120.400 0.177 0.000 2.358 368 D HA -0.007 4.633 4.640 -0.000 0.000 0.244 368 D C 0.546 176.898 176.300 0.087 0.000 1.163 368 D CA -0.262 53.790 54.000 0.087 0.000 0.945 368 D CB 1.320 42.162 40.800 0.071 0.000 1.152 368 D HN 0.432 nan 8.370 nan 0.000 0.451 369 E N -0.155 120.079 120.200 0.056 0.000 2.209 369 E HA -0.249 4.100 4.350 -0.000 0.000 0.196 369 E C 1.619 178.245 176.600 0.043 0.000 0.993 369 E CA 1.256 57.686 56.400 0.050 0.000 0.819 369 E CB 0.090 29.837 29.700 0.077 0.000 0.745 369 E HN 0.577 nan 8.360 nan 0.000 0.477 370 E N 1.056 121.285 120.200 0.048 0.000 2.006 370 E HA -0.187 4.163 4.350 -0.000 0.000 0.192 370 E C 2.018 178.613 176.600 -0.008 0.000 0.993 370 E CA 1.038 57.455 56.400 0.028 0.000 0.808 370 E CB 0.070 29.793 29.700 0.038 0.000 0.764 370 E HN 0.057 nan 8.360 nan 0.000 0.449 371 E N -0.207 119.989 120.200 -0.005 0.000 2.086 371 E HA -0.203 4.147 4.350 -0.000 0.000 0.200 371 E C 2.194 178.739 176.600 -0.092 0.000 1.012 371 E CA 1.999 58.351 56.400 -0.080 0.000 0.812 371 E CB -0.414 29.234 29.700 -0.086 0.000 0.743 371 E HN 0.378 nan 8.360 nan 0.000 0.453 372 T N 0.603 115.180 114.554 0.037 0.000 2.788 372 T HA -0.139 4.211 4.350 -0.000 0.000 0.268 372 T C 1.941 176.612 174.700 -0.048 0.000 1.044 372 T CA 1.211 63.364 62.100 0.089 0.000 1.139 372 T CB -0.098 68.857 68.868 0.146 0.000 0.867 372 T HN 0.145 nan 8.240 nan 0.000 0.454 373 R N 1.152 121.576 120.500 -0.127 0.000 2.066 373 R HA -0.025 4.315 4.340 -0.000 0.000 0.232 373 R C 2.335 178.503 176.300 -0.220 0.000 1.131 373 R CA 1.178 57.081 56.100 -0.329 0.000 0.955 373 R CB -0.019 30.047 30.300 -0.389 0.000 0.851 373 R HN 0.305 nan 8.270 nan 0.000 0.432 374 K N -0.009 120.330 120.400 -0.103 0.000 2.097 374 K HA -0.145 4.175 4.320 -0.000 0.000 0.206 374 K C 2.226 178.811 176.600 -0.026 0.000 1.049 374 K CA 1.236 57.502 56.287 -0.034 0.000 0.933 374 K CB -0.125 32.352 32.500 -0.039 0.000 0.717 374 K HN 0.231 nan 8.250 nan 0.000 0.442 375 R N 0.727 121.188 120.500 -0.065 0.000 2.066 375 R HA -0.104 4.235 4.340 -0.000 0.000 0.232 375 R C 2.451 178.770 176.300 0.032 0.000 1.131 375 R CA 0.907 56.978 56.100 -0.048 0.000 0.955 375 R CB -0.580 29.653 30.300 -0.112 0.000 0.851 375 R HN 0.098 nan 8.270 nan 0.000 0.432 376 L N 1.712 122.958 121.223 0.039 0.000 1.990 376 L HA -0.234 4.106 4.340 -0.000 0.000 0.213 376 L C 2.412 179.371 176.870 0.148 0.000 1.072 376 L CA 1.925 56.819 54.840 0.090 0.000 0.755 376 L CB -0.527 41.545 42.059 0.023 0.000 0.889 376 L HN 0.204 nan 8.230 nan 0.000 0.432 377 E N -0.613 119.717 120.200 0.216 0.000 2.049 377 E HA -0.310 4.040 4.350 -0.000 0.000 0.198 377 E C 2.072 178.729 176.600 0.095 0.000 1.007 377 E CA 1.869 58.410 56.400 0.234 0.000 0.809 377 E CB -0.311 29.549 29.700 0.267 0.000 0.749 377 E HN 0.666 nan 8.360 nan 0.000 0.450 378 N N -0.054 118.685 118.700 0.065 0.000 2.021 378 N HA -0.223 4.517 4.740 -0.000 0.000 0.198 378 N C 2.142 177.673 175.510 0.034 0.000 1.041 378 N CA 1.807 54.878 53.050 0.034 0.000 0.862 378 N CB -0.223 38.274 38.487 0.018 0.000 1.048 378 N HN 0.204 nan 8.380 nan 0.000 0.427 379 I N 0.488 121.087 120.570 0.047 0.000 2.151 379 I HA -0.306 3.864 4.170 -0.000 0.000 0.243 379 I C 2.532 178.669 176.117 0.033 0.000 1.080 379 I CA 1.051 62.374 61.300 0.039 0.000 1.339 379 I CB -0.228 37.805 38.000 0.055 0.000 1.039 379 I HN 0.269 nan 8.210 nan 0.000 0.409 380 M N 0.759 120.387 119.600 0.046 0.000 2.108 380 M HA -0.149 4.331 4.480 -0.000 0.000 0.261 380 M C 2.155 178.461 176.300 0.010 0.000 1.066 380 M CA 1.841 57.159 55.300 0.031 0.000 1.107 380 M CB -0.453 32.166 32.600 0.031 0.000 1.356 380 M HN 0.016 nan 8.290 nan 0.000 0.406 381 V N 0.693 120.610 119.914 0.005 0.000 2.255 381 V HA -0.337 3.783 4.120 -0.000 0.000 0.247 381 V C 1.979 178.075 176.094 0.004 0.000 1.051 381 V CA 2.393 64.688 62.300 -0.008 0.000 1.018 381 V CB -1.186 30.632 31.823 -0.010 0.000 0.641 381 V HN 0.561 nan 8.190 nan 0.000 0.445 382 N N 0.348 119.056 118.700 0.012 0.000 2.272 382 N HA -0.174 4.566 4.740 -0.000 0.000 0.185 382 N C 1.572 177.100 175.510 0.028 0.000 1.014 382 N CA 1.122 54.184 53.050 0.020 0.000 0.870 382 N CB -0.165 38.332 38.487 0.016 0.000 0.975 382 N HN 0.533 nan 8.380 nan 0.000 0.433 383 N N 0.889 119.604 118.700 0.024 0.000 2.092 383 N HA -0.068 4.672 4.740 -0.000 0.000 0.189 383 N C 1.965 177.502 175.510 0.044 0.000 1.040 383 N CA 0.762 53.831 53.050 0.031 0.000 0.845 383 N CB -0.651 37.850 38.487 0.024 0.000 1.017 383 N HN -0.008 nan 8.380 nan 0.000 0.426 384 V N 2.119 122.050 119.914 0.029 0.000 2.392 384 V HA -0.170 3.950 4.120 -0.000 0.000 0.249 384 V C 2.415 178.559 176.094 0.083 0.000 1.059 384 V CA 1.462 63.782 62.300 0.033 0.000 1.051 384 V CB -0.392 31.422 31.823 -0.014 0.000 0.658 384 V HN 0.265 nan 8.190 nan 0.000 0.455 385 E N 0.316 120.555 120.200 0.064 0.000 2.017 385 E HA -0.228 4.122 4.350 -0.000 0.000 0.193 385 E C 2.441 179.135 176.600 0.157 0.000 0.997 385 E CA 1.444 57.904 56.400 0.099 0.000 0.804 385 E CB -0.293 29.440 29.700 0.054 0.000 0.757 385 E HN 0.482 nan 8.360 nan 0.000 0.448 386 R N 0.449 121.015 120.500 0.109 0.000 2.103 386 R HA -0.141 4.199 4.340 -0.000 0.000 0.242 386 R C 2.292 178.675 176.300 0.139 0.000 1.142 386 R CA 1.598 57.763 56.100 0.108 0.000 0.960 386 R CB -0.146 30.200 30.300 0.076 0.000 0.858 386 R HN 0.044 nan 8.270 nan 0.000 0.439 387 V N 0.046 120.046 119.914 0.144 0.000 2.667 387 V HA -0.199 3.921 4.120 -0.000 0.000 0.252 387 V C 1.823 178.058 176.094 0.234 0.000 1.065 387 V CA 1.404 63.799 62.300 0.159 0.000 1.083 387 V CB -0.665 31.221 31.823 0.105 0.000 0.692 387 V HN 0.375 nan 8.190 nan 0.000 0.468 388 Y N 1.322 121.707 120.300 0.141 0.000 2.184 388 Y HA -0.144 4.406 4.550 -0.000 0.000 0.290 388 Y C 2.491 178.539 175.900 0.248 0.000 1.129 388 Y CA 1.589 59.828 58.100 0.233 0.000 1.144 388 Y CB -0.128 38.429 38.460 0.161 0.000 0.995 388 Y HN 0.112 nan 8.280 nan 0.000 0.513 389 K N -0.375 120.138 120.400 0.187 0.000 2.063 389 K HA -0.256 4.064 4.320 -0.000 0.000 0.208 389 K C 2.207 178.805 176.600 -0.003 0.000 1.048 389 K CA 1.685 58.010 56.287 0.062 0.000 0.928 389 K CB -0.210 32.348 32.500 0.096 0.000 0.713 389 K HN 0.089 nan 8.250 nan 0.000 0.442 390 R N 0.480 121.027 120.500 0.078 0.000 2.115 390 R HA -0.130 4.210 4.340 -0.000 0.000 0.226 390 R C 1.755 178.115 176.300 0.100 0.000 1.100 390 R CA 1.069 57.217 56.100 0.079 0.000 0.980 390 R CB -0.714 29.700 30.300 0.191 0.000 0.875 390 R HN 0.341 nan 8.270 nan 0.000 0.445 391 W N 1.390 122.669 121.300 -0.035 0.000 2.333 391 W HA -0.181 4.479 4.660 -0.000 0.000 0.316 391 W C 1.571 177.994 176.519 -0.160 0.000 1.215 391 W CA 1.852 59.184 57.345 -0.021 0.000 1.278 391 W CB -0.437 28.985 29.460 -0.065 0.000 1.154 391 W HN 0.222 nan 8.180 nan 0.000 0.486 392 Q N -0.336 119.199 119.800 -0.441 0.000 2.297 392 Q HA -0.133 4.207 4.340 -0.000 0.000 0.204 392 Q C 2.333 178.084 176.000 -0.416 0.000 0.962 392 Q CA 0.654 56.092 55.803 -0.609 0.000 0.879 392 Q CB -0.296 28.098 28.738 -0.573 0.000 0.947 392 Q HN 0.153 nan 8.270 nan 0.000 0.462 393 R N 1.103 121.409 120.500 -0.324 0.000 2.096 393 R HA -0.050 4.290 4.340 -0.000 0.000 0.235 393 R C 0.154 176.210 176.300 -0.407 0.000 1.127 393 R CA 1.001 56.920 56.100 -0.302 0.000 0.968 393 R CB 0.168 30.322 30.300 -0.243 0.000 0.861 393 R HN 0.184 nan 8.270 nan 0.000 0.440 394 E N -0.114 119.745 120.200 -0.568 0.000 2.232 394 E HA 0.220 4.570 4.350 -0.000 0.000 0.265 394 E C -0.866 175.418 176.600 -0.527 0.000 1.001 394 E CA -0.416 55.538 56.400 -0.742 0.000 0.870 394 E CB 1.406 30.136 29.700 -1.616 0.000 1.175 394 E HN -0.142 nan 8.360 nan 0.000 0.407 395 K N 0.410 120.560 120.400 -0.418 0.000 2.270 395 K HA 0.481 4.801 4.320 -0.000 0.000 0.255 395 K C 0.177 176.707 176.600 -0.116 0.000 0.936 395 K CA 0.152 56.292 56.287 -0.245 0.000 0.809 395 K CB 1.133 33.522 32.500 -0.186 0.000 1.131 395 K HN 0.604 nan 8.250 nan 0.000 0.427 396 G N 2.953 111.729 108.800 -0.039 0.000 2.258 396 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.233 396 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.233 396 G C -0.617 174.382 174.900 0.166 0.000 1.006 396 G CA -0.159 44.974 45.100 0.056 0.000 0.620 396 G HN 0.549 nan 8.290 nan 0.000 0.511 397 W N 2.761 124.006 121.300 -0.092 0.000 2.181 397 W HA 0.547 5.207 4.660 -0.000 0.000 0.335 397 W C 1.232 177.775 176.519 0.042 0.000 1.310 397 W CA 0.546 57.873 57.345 -0.029 0.000 1.226 397 W CB 0.436 29.908 29.460 0.020 0.000 1.155 397 W HN 0.452 nan 8.180 nan 0.000 0.565 398 T N 1.062 115.680 114.554 0.106 0.000 2.929 398 T HA 0.239 4.588 4.350 -0.000 0.000 0.284 398 T C 1.253 175.995 174.700 0.070 0.000 1.014 398 T CA -0.876 61.168 62.100 -0.094 0.000 1.051 398 T CB 1.151 69.776 68.868 -0.405 0.000 1.028 398 T HN 0.298 nan 8.240 nan 0.000 0.485 399 M N 0.486 120.011 119.600 -0.125 0.000 2.146 399 M HA -0.171 4.309 4.480 -0.000 0.000 0.256 399 M C 2.301 178.541 176.300 -0.099 0.000 1.075 399 M CA 1.731 56.807 55.300 -0.374 0.000 1.082 399 M CB -1.318 31.044 32.600 -0.397 0.000 1.355 399 M HN 0.845 nan 8.290 nan 0.000 0.402 400 R N 1.021 121.510 120.500 -0.017 0.000 2.097 400 R HA -0.174 4.165 4.340 -0.000 0.000 0.236 400 R C 1.648 177.872 176.300 -0.126 0.000 1.135 400 R CA 2.345 58.433 56.100 -0.020 0.000 0.934 400 R CB -0.557 29.764 30.300 0.035 0.000 0.846 400 R HN 0.359 nan 8.270 nan 0.000 0.431 401 D N 0.112 120.394 120.400 -0.196 0.000 2.103 401 D HA -0.208 4.432 4.640 -0.000 0.000 0.190 401 D C 1.828 177.917 176.300 -0.351 0.000 0.997 401 D CA 1.938 55.686 54.000 -0.420 0.000 0.833 401 D CB -0.742 39.659 40.800 -0.665 0.000 0.961 401 D HN 0.431 nan 8.370 nan 0.000 0.447 402 A N 1.256 124.049 122.820 -0.044 0.000 1.917 402 A HA -0.140 4.180 4.320 -0.000 0.000 0.219 402 A C 2.345 179.978 177.584 0.081 0.000 1.182 402 A CA 2.804 54.963 52.037 0.203 0.000 0.633 402 A CB -0.849 18.393 19.000 0.404 0.000 0.819 402 A HN 0.277 nan 8.150 nan 0.000 0.448 403 A N -0.012 122.813 122.820 0.010 0.000 1.845 403 A HA -0.105 4.215 4.320 -0.000 0.000 0.215 403 A C 2.155 179.734 177.584 -0.008 0.000 1.195 403 A CA 1.596 53.639 52.037 0.011 0.000 0.616 403 A CB -0.708 18.293 19.000 0.000 0.000 0.832 403 A HN 0.496 nan 8.150 nan 0.000 0.443 404 I N -0.312 120.208 120.570 -0.083 0.000 2.127 404 I HA -0.243 3.927 4.170 -0.000 0.000 0.241 404 I C 2.368 178.456 176.117 -0.048 0.000 1.075 404 I CA 1.406 62.636 61.300 -0.116 0.000 1.334 404 I CB -0.433 37.386 38.000 -0.302 0.000 1.040 404 I HN 0.160 nan 8.210 nan 0.000 0.405 405 V N 0.412 120.284 119.914 -0.070 0.000 2.392 405 V HA -0.292 3.828 4.120 -0.000 0.000 0.249 405 V C 2.471 178.666 176.094 0.168 0.000 1.059 405 V CA 2.413 64.750 62.300 0.061 0.000 1.051 405 V CB -0.950 30.854 31.823 -0.033 0.000 0.658 405 V HN 0.485 nan 8.190 nan 0.000 0.455 406 T N 0.107 114.739 114.554 0.130 0.000 2.788 406 T HA -0.121 4.229 4.350 -0.000 0.000 0.268 406 T C 2.029 176.791 174.700 0.103 0.000 1.044 406 T CA 1.537 63.719 62.100 0.137 0.000 1.139 406 T CB -0.301 68.637 68.868 0.117 0.000 0.867 406 T HN 0.589 nan 8.240 nan 0.000 0.454 407 A N 1.618 124.484 122.820 0.076 0.000 1.855 407 A HA 0.046 4.366 4.320 -0.000 0.000 0.215 407 A C 2.068 179.690 177.584 0.065 0.000 1.191 407 A CA 0.930 53.004 52.037 0.062 0.000 0.613 407 A CB -0.728 18.303 19.000 0.051 0.000 0.829 407 A HN 0.342 nan 8.150 nan 0.000 0.442 408 L N 0.126 121.389 121.223 0.068 0.000 2.349 408 L HA -0.133 4.207 4.340 -0.000 0.000 0.220 408 L C 2.171 178.910 176.870 -0.219 0.000 1.130 408 L CA 1.941 56.800 54.840 0.030 0.000 0.791 408 L CB -1.339 40.758 42.059 0.063 0.000 0.918 408 L HN 0.640 nan 8.230 nan 0.000 0.444 409 E N -0.235 119.952 120.200 -0.023 0.000 2.086 409 E HA -0.177 4.173 4.350 -0.000 0.000 0.190 409 E C 2.325 178.943 176.600 0.030 0.000 0.975 409 E CA 0.299 56.729 56.400 0.050 0.000 0.813 409 E CB 0.208 30.065 29.700 0.262 0.000 0.768 409 E HN 0.306 nan 8.360 nan 0.000 0.457 410 R N 0.515 121.033 120.500 0.029 0.000 2.092 410 R HA -0.077 4.263 4.340 -0.000 0.000 0.231 410 R C 2.165 178.445 176.300 -0.033 0.000 1.119 410 R CA 1.212 57.313 56.100 0.002 0.000 0.970 410 R CB -0.160 30.144 30.300 0.008 0.000 0.864 410 R HN 0.196 nan 8.270 nan 0.000 0.440 411 I N -0.098 120.473 120.570 0.002 0.000 2.163 411 I HA -0.272 3.897 4.170 -0.000 0.000 0.240 411 I C 2.196 178.304 176.117 -0.014 0.000 1.081 411 I CA 1.216 62.530 61.300 0.023 0.000 1.353 411 I CB -0.532 37.562 38.000 0.156 0.000 1.054 411 I HN 0.206 nan 8.210 nan 0.000 0.407 412 Y N 2.180 122.323 120.300 -0.262 0.000 2.114 412 Y HA -0.320 4.230 4.550 -0.000 0.000 0.282 412 Y C 2.226 177.942 175.900 -0.307 0.000 1.165 412 Y CA 1.957 59.691 58.100 -0.610 0.000 1.148 412 Y CB -0.782 36.907 38.460 -1.285 0.000 0.972 412 Y HN 0.193 nan 8.280 nan 0.000 0.504 413 N N -0.346 118.173 118.700 -0.301 0.000 2.289 413 N HA -0.172 4.568 4.740 -0.000 0.000 0.184 413 N C 1.832 177.165 175.510 -0.294 0.000 1.016 413 N CA 0.569 53.445 53.050 -0.289 0.000 0.872 413 N CB -0.221 38.209 38.487 -0.095 0.000 0.973 413 N HN 0.495 nan 8.380 nan 0.000 0.433 414 A N 1.137 123.792 122.820 -0.274 0.000 1.898 414 A HA -0.026 4.294 4.320 -0.000 0.000 0.214 414 A C 2.155 179.492 177.584 -0.412 0.000 1.183 414 A CA 0.766 52.623 52.037 -0.300 0.000 0.622 414 A CB -0.238 18.590 19.000 -0.287 0.000 0.824 414 A HN 0.141 nan 8.150 nan 0.000 0.444 415 M N -0.469 118.878 119.600 -0.423 0.000 2.159 415 M HA -0.133 4.347 4.480 -0.000 0.000 0.263 415 M C 1.999 178.146 176.300 -0.255 0.000 1.063 415 M CA 1.212 56.272 55.300 -0.400 0.000 1.110 415 M CB -0.435 32.105 32.600 -0.100 0.000 1.374 415 M HN 0.205 nan 8.290 nan 0.000 0.411 416 K N 1.018 121.205 120.400 -0.355 0.000 1.985 416 K HA -0.034 4.286 4.320 -0.000 0.000 0.210 416 K C 1.816 178.314 176.600 -0.170 0.000 1.047 416 K CA 1.445 57.563 56.287 -0.283 0.000 0.932 416 K CB -0.801 31.436 32.500 -0.439 0.000 0.716 416 K HN 0.385 nan 8.250 nan 0.000 0.439 417 I N 1.143 121.597 120.570 -0.192 0.000 2.423 417 I HA -0.253 3.917 4.170 -0.000 0.000 0.254 417 I C 2.252 178.311 176.117 -0.097 0.000 1.151 417 I CA 1.101 62.324 61.300 -0.128 0.000 1.421 417 I CB -0.085 37.837 38.000 -0.130 0.000 1.079 417 I HN 0.130 nan 8.210 nan 0.000 0.431 418 R N 0.449 120.867 120.500 -0.136 0.000 2.254 418 R HA 0.142 4.482 4.340 -0.000 0.000 0.195 418 R C 1.263 177.635 176.300 0.120 0.000 0.957 418 R CA 0.846 56.910 56.100 -0.059 0.000 1.024 418 R CB 0.279 30.416 30.300 -0.271 0.000 0.952 418 R HN 0.442 nan 8.270 nan 0.000 0.484 419 G N 0.359 109.223 108.800 0.105 0.000 2.165 419 G HA2 -0.180 3.780 3.960 -0.000 0.000 0.226 419 G HA3 -0.180 3.780 3.960 -0.000 0.000 0.226 419 G C 0.112 175.188 174.900 0.293 0.000 1.035 419 G CA -0.004 45.191 45.100 0.159 0.000 0.744 419 G HN 0.276 nan 8.290 nan 0.000 0.501 420 W N -0.077 121.210 121.300 -0.023 0.000 2.494 420 W HA 0.454 5.113 4.660 -0.000 0.000 0.286 420 W C 1.841 178.371 176.519 0.018 0.000 1.218 420 W CA 0.567 57.910 57.345 -0.004 0.000 1.313 420 W CB -0.159 29.299 29.460 -0.003 0.000 1.105 420 W HN 0.351 nan 8.180 nan 0.000 0.561 421 I N 0.000 120.726 120.570 0.260 0.000 2.984 421 I HA 0.000 4.170 4.170 -0.000 0.000 0.288 421 I CA 0.000 61.419 61.300 0.198 0.000 1.566 421 I CB 0.000 38.137 38.000 0.228 0.000 1.214 421 I HN 0.000 nan 8.210 nan 0.000 0.494